REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3iyj_1_B DATA FIRST_RESID 14 DATA SEQUENCE PTPVSKVLCS ETYVQRKSIF YHAETERLLT IGHPYYPVSI GAKTVPKVSA DATA SEQUENCE NQYRVFKIQL PDPNQFALPD RTVHNPSKER LVWAVIGVQV SRGQPLGGTV DATA SEQUENCE TGHPTFNALL DAENVNRKVT TQTTDDRKQT GLDAKQQQIL LLGCTPAEGE DATA SEQUENCE YWTTARPCVT DRLENGACPP LELKNKHIED GDMMEIGFGA ANFKEINASK DATA SEQUENCE SDLPLDIQNE ICLYPDYLKM AEDAAGNSMF FFARKEQVYV RHIWTRGGSE DATA SEQUENCE KEAPTTDFYL KNNKGDATLK IPSVHFGSPS GSLVSTDNQI FNRPYWLFRA DATA SEQUENCE QGMNNGIAWN NLLFLTVGDN TRGTNLTISV ASDGTPLTEY DSSKFNVYHR DATA SEQUENCE HMEEYKLAFI LELCSVEITA QTVSHLQGLM PSVLENWEIG VQPPTSSILE DATA SEQUENCE DTYRYIESPA TKCASNVIPA KEDPYAGFKF WNIDLKEKLS LDLDQFPLGR DATA SEQUENCE RFLAQQGAGC STVRKRRIS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 P HA 0.000 nan 4.420 nan 0.000 0.216 14 P C 0.000 177.308 177.300 0.014 0.000 1.155 14 P CA 0.000 63.106 63.100 0.011 0.000 0.800 14 P CB 0.000 31.707 31.700 0.012 0.000 0.726 15 T N 2.331 116.893 114.554 0.014 0.000 3.516 15 T HA 0.237 4.587 4.350 -0.000 0.000 0.245 15 T C -0.554 174.159 174.700 0.022 0.000 1.077 15 T CA -0.383 61.727 62.100 0.017 0.000 1.222 15 T CB 0.571 69.444 68.868 0.008 0.000 1.045 15 T HN 0.392 nan 8.240 nan 0.000 0.585 16 P HA 0.058 nan 4.420 nan 0.000 0.216 16 P C 0.547 177.871 177.300 0.039 0.000 1.153 16 P CA 0.431 63.549 63.100 0.029 0.000 0.844 16 P CB -0.002 31.715 31.700 0.028 0.000 0.787 17 V N 1.987 121.935 119.914 0.057 0.000 2.673 17 V HA 0.044 4.164 4.120 -0.000 0.000 0.303 17 V C 1.627 177.765 176.094 0.073 0.000 1.046 17 V CA 1.088 63.435 62.300 0.079 0.000 1.126 17 V CB 0.862 32.765 31.823 0.133 0.000 0.934 17 V HN 0.387 nan 8.190 nan 0.000 0.487 18 S N 2.129 117.870 115.700 0.068 0.000 2.632 18 S HA 0.230 4.700 4.470 -0.000 0.000 0.237 18 S C 0.251 174.890 174.600 0.064 0.000 1.037 18 S CA -0.527 57.706 58.200 0.054 0.000 1.009 18 S CB 0.132 63.354 63.200 0.037 0.000 0.974 18 S HN 0.822 nan 8.310 nan 0.000 0.544 19 K N 0.771 121.224 120.400 0.087 0.000 2.318 19 K HA 0.752 5.072 4.320 -0.000 0.000 0.249 19 K C -0.635 176.058 176.600 0.155 0.000 0.942 19 K CA -0.918 55.426 56.287 0.095 0.000 0.808 19 K CB 2.149 34.692 32.500 0.071 0.000 1.189 19 K HN -0.034 nan 8.250 nan 0.000 0.428 20 V N 3.112 123.128 119.914 0.170 0.000 2.843 20 V HA 0.131 4.251 4.120 -0.000 0.000 0.305 20 V C -0.709 175.500 176.094 0.192 0.000 1.065 20 V CA -0.355 62.105 62.300 0.267 0.000 1.116 20 V CB 0.814 32.766 31.823 0.214 0.000 0.968 20 V HN 0.683 nan 8.190 nan 0.000 0.487 21 L N 7.575 128.909 121.223 0.185 0.000 2.322 21 L HA 0.585 4.925 4.340 -0.000 0.000 0.281 21 L C -0.073 176.821 176.870 0.039 0.000 1.014 21 L CA -0.294 54.562 54.840 0.027 0.000 0.815 21 L CB 0.924 42.907 42.059 -0.127 0.000 1.247 21 L HN 0.900 nan 8.230 nan 0.000 0.421 22 C N 2.357 121.643 119.300 -0.022 0.000 2.634 22 C HA 0.194 4.654 4.460 -0.000 0.000 0.418 22 C C 2.144 176.994 174.990 -0.233 0.000 1.373 22 C CA 0.039 59.025 59.018 -0.054 0.000 1.756 22 C CB -0.728 26.983 27.740 -0.048 0.000 2.589 22 C HN 0.992 nan 8.230 nan 0.000 0.602 23 S N 1.036 116.616 115.700 -0.199 0.000 2.440 23 S HA -0.250 4.220 4.470 -0.000 0.000 0.238 23 S C 1.586 175.840 174.600 -0.577 0.000 1.010 23 S CA 1.650 59.597 58.200 -0.421 0.000 0.972 23 S CB -0.554 62.631 63.200 -0.025 0.000 0.774 23 S HN 0.908 nan 8.310 nan 0.000 0.501 24 E N 1.218 121.222 120.200 -0.327 0.000 2.118 24 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 24 E C 1.679 178.122 176.600 -0.262 0.000 0.992 24 E CA 1.615 57.873 56.400 -0.236 0.000 0.804 24 E CB -0.424 29.193 29.700 -0.137 0.000 0.741 24 E HN 0.653 nan 8.360 nan 0.000 0.458 25 T N 0.171 114.525 114.554 -0.333 0.000 2.746 25 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 25 T C 1.234 175.865 174.700 -0.116 0.000 1.039 25 T CA 1.729 63.704 62.100 -0.209 0.000 1.142 25 T CB -0.350 68.418 68.868 -0.165 0.000 0.866 25 T HN 0.474 nan 8.240 nan 0.000 0.444 26 Y N -0.051 120.260 120.300 0.018 0.000 2.468 26 Y HA 0.641 5.191 4.550 -0.000 0.000 0.268 26 Y C 0.070 176.000 175.900 0.051 0.000 1.177 26 Y CA -1.300 56.820 58.100 0.034 0.000 1.265 26 Y CB -0.690 37.802 38.460 0.054 0.000 1.103 26 Y HN -0.130 nan 8.280 nan 0.000 0.522 27 V N 2.926 122.898 119.914 0.097 0.000 2.384 27 V HA 0.291 4.411 4.120 -0.000 0.000 0.287 27 V C -0.475 175.620 176.094 0.002 0.000 1.020 27 V CA -0.863 61.497 62.300 0.099 0.000 0.850 27 V CB 1.408 33.252 31.823 0.035 0.000 0.987 27 V HN 0.124 nan 8.190 nan 0.000 0.436 28 Q N 4.314 124.114 119.800 0.000 0.000 2.261 28 Q HA 0.468 4.808 4.340 -0.000 0.000 0.252 28 Q C -0.268 175.706 176.000 -0.043 0.000 0.915 28 Q CA -0.173 55.616 55.803 -0.022 0.000 0.915 28 Q CB 1.609 30.334 28.738 -0.022 0.000 1.204 28 Q HN 0.559 nan 8.270 nan 0.000 0.421 29 R N 2.268 122.744 120.500 -0.040 0.000 2.255 29 R HA 0.344 4.684 4.340 -0.000 0.000 0.326 29 R C 0.175 176.454 176.300 -0.035 0.000 0.986 29 R CA -0.755 55.313 56.100 -0.054 0.000 0.847 29 R CB 1.229 31.497 30.300 -0.053 0.000 1.111 29 R HN 0.266 nan 8.270 nan 0.000 0.452 30 K N 0.887 121.259 120.400 -0.047 0.000 2.155 30 K HA 0.139 4.459 4.320 -0.000 0.000 0.237 30 K C 0.799 177.393 176.600 -0.010 0.000 1.040 30 K CA -0.192 56.087 56.287 -0.013 0.000 0.912 30 K CB 0.802 33.297 32.500 -0.008 0.000 1.137 30 K HN 0.580 nan 8.250 nan 0.000 0.498 31 S N -0.138 115.598 115.700 0.060 0.000 2.506 31 S HA 0.270 4.740 4.470 -0.000 0.000 0.245 31 S C 0.172 174.933 174.600 0.269 0.000 1.088 31 S CA -0.600 57.706 58.200 0.176 0.000 1.099 31 S CB -0.593 62.729 63.200 0.204 0.000 0.805 31 S HN 0.281 nan 8.310 nan 0.000 0.461 32 I N 1.570 122.160 120.570 0.033 0.000 2.525 32 I HA 0.636 4.806 4.170 -0.000 0.000 0.301 32 I C -0.549 175.483 176.117 -0.142 0.000 0.992 32 I CA -0.862 60.522 61.300 0.141 0.000 1.162 32 I CB 0.788 38.908 38.000 0.201 0.000 1.332 32 I HN 0.122 nan 8.210 nan 0.000 0.458 33 F N 4.103 124.034 119.950 -0.030 0.000 2.577 33 F HA 0.666 5.193 4.527 -0.000 0.000 0.318 33 F C -0.680 174.943 175.800 -0.295 0.000 1.065 33 F CA -0.975 56.977 58.000 -0.081 0.000 0.929 33 F CB 1.403 40.249 39.000 -0.257 0.000 1.237 33 F HN 0.185 nan 8.300 nan 0.000 0.468 34 Y N -0.858 119.426 120.300 -0.027 0.000 2.581 34 Y HA 0.463 5.013 4.550 -0.000 0.000 0.345 34 Y C -0.950 174.858 175.900 -0.153 0.000 1.036 34 Y CA -1.174 56.861 58.100 -0.108 0.000 1.042 34 Y CB 2.068 40.358 38.460 -0.283 0.000 1.289 34 Y HN 0.623 nan 8.280 nan 0.000 0.471 35 H N 0.928 119.913 119.070 -0.142 0.000 2.708 35 H HA 0.764 5.320 4.556 -0.000 0.000 0.320 35 H C -1.416 173.693 175.328 -0.366 0.000 0.991 35 H CA -0.607 55.255 56.048 -0.311 0.000 1.243 35 H CB 0.820 30.228 29.762 -0.589 0.000 1.446 35 H HN 0.745 nan 8.280 nan 0.000 0.502 36 A N 5.056 127.497 122.820 -0.632 0.000 2.412 36 A HA 0.265 4.585 4.320 -0.000 0.000 0.334 36 A C -0.310 177.092 177.584 -0.303 0.000 1.419 36 A CA -0.674 51.152 52.037 -0.351 0.000 0.930 36 A CB 0.034 18.886 19.000 -0.247 0.000 1.149 36 A HN 0.835 nan 8.150 nan 0.000 0.515 37 E N 2.875 122.976 120.200 -0.165 0.000 2.113 37 E HA 0.395 4.745 4.350 -0.000 0.000 0.273 37 E C 0.096 176.723 176.600 0.045 0.000 0.924 37 E CA -0.439 55.979 56.400 0.029 0.000 0.764 37 E CB 0.850 30.744 29.700 0.323 0.000 1.104 37 E HN 0.617 nan 8.360 nan 0.000 0.406 38 T N 2.261 116.821 114.554 0.009 0.000 2.897 38 T HA 0.223 4.573 4.350 -0.000 0.000 0.294 38 T C 0.202 174.899 174.700 -0.006 0.000 1.004 38 T CA -0.946 61.139 62.100 -0.024 0.000 1.106 38 T CB 1.211 70.012 68.868 -0.111 0.000 0.949 38 T HN 0.353 nan 8.240 nan 0.000 0.520 39 E N 2.058 122.262 120.200 0.007 0.000 2.366 39 E HA 0.140 4.490 4.350 -0.000 0.000 0.266 39 E C 0.652 177.254 176.600 0.002 0.000 1.051 39 E CA -0.432 55.983 56.400 0.024 0.000 0.884 39 E CB 0.634 30.358 29.700 0.040 0.000 1.006 39 E HN 0.821 nan 8.360 nan 0.000 0.417 40 R N 1.905 122.411 120.500 0.011 0.000 2.500 40 R HA -0.008 4.332 4.340 -0.000 0.000 0.281 40 R C -0.441 175.881 176.300 0.037 0.000 0.953 40 R CA 0.369 56.473 56.100 0.007 0.000 1.108 40 R CB -0.289 30.018 30.300 0.012 0.000 0.901 40 R HN 0.302 nan 8.270 nan 0.000 0.410 41 L N 4.679 125.930 121.223 0.047 0.000 2.296 41 L HA 0.503 4.843 4.340 -0.000 0.000 0.286 41 L C -0.268 176.754 176.870 0.253 0.000 1.023 41 L CA -0.933 54.005 54.840 0.163 0.000 0.812 41 L CB 1.151 43.244 42.059 0.057 0.000 1.223 41 L HN 0.530 nan 8.230 nan 0.000 0.421 42 L N 2.478 123.868 121.223 0.277 0.000 2.341 42 L HA 0.879 5.219 4.340 -0.000 0.000 0.267 42 L C -0.355 176.672 176.870 0.262 0.000 1.009 42 L CA -0.569 54.407 54.840 0.228 0.000 0.819 42 L CB 2.429 44.560 42.059 0.119 0.000 1.323 42 L HN 0.673 nan 8.230 nan 0.000 0.425 43 T N -0.139 114.543 114.554 0.213 0.000 3.012 43 T HA 0.720 5.070 4.350 -0.000 0.000 0.330 43 T C -0.762 174.004 174.700 0.111 0.000 1.321 43 T CA -0.697 61.486 62.100 0.140 0.000 1.067 43 T CB 1.949 70.908 68.868 0.153 0.000 1.235 43 T HN 0.683 nan 8.240 nan 0.000 0.479 44 I N -1.254 119.358 120.570 0.070 0.000 3.095 44 I HA 0.988 5.157 4.170 -0.000 0.000 0.310 44 I C -0.183 175.969 176.117 0.058 0.000 1.196 44 I CA -1.043 60.300 61.300 0.072 0.000 0.985 44 I CB 1.932 39.962 38.000 0.050 0.000 1.250 44 I HN 1.251 nan 8.210 nan 0.000 0.446 45 G N 1.138 109.980 108.800 0.070 0.000 2.341 45 G HA2 0.189 4.149 3.960 -0.000 0.000 0.293 45 G HA3 0.189 4.149 3.960 -0.000 0.000 0.293 45 G C -1.940 172.986 174.900 0.043 0.000 1.298 45 G CA -0.945 44.184 45.100 0.047 0.000 0.868 45 G HN 1.120 nan 8.290 nan 0.000 0.540 46 H N 1.942 120.965 119.070 -0.080 0.000 2.964 46 H HA 0.341 4.897 4.556 -0.000 0.000 0.328 46 H C -0.769 174.447 175.328 -0.187 0.000 1.030 46 H CA -0.319 55.646 56.048 -0.138 0.000 1.445 46 H CB 1.572 31.208 29.762 -0.209 0.000 1.449 46 H HN 0.182 nan 8.280 nan 0.000 0.581 47 P HA -0.188 nan 4.420 nan 0.000 0.217 47 P C 0.534 177.364 177.300 -0.784 0.000 1.150 47 P CA 1.599 64.200 63.100 -0.832 0.000 0.832 47 P CB 0.200 31.271 31.700 -1.048 0.000 0.787 48 Y N -0.429 119.379 120.300 -0.821 0.000 2.230 48 Y HA 0.075 4.625 4.550 -0.000 0.000 0.294 48 Y C 1.356 177.305 175.900 0.080 0.000 1.120 48 Y CA 0.660 58.603 58.100 -0.261 0.000 1.129 48 Y CB -0.636 37.766 38.460 -0.097 0.000 1.040 48 Y HN -0.013 nan 8.280 nan 0.000 0.519 49 Y N -2.929 117.631 120.300 0.432 0.000 2.597 49 Y HA 0.628 5.178 4.550 -0.000 0.000 0.340 49 Y C -3.259 172.775 175.900 0.223 0.000 1.097 49 Y CA -3.917 54.337 58.100 0.256 0.000 1.037 49 Y CB 0.446 39.028 38.460 0.204 0.000 1.305 49 Y HN -0.321 nan 8.280 nan 0.000 0.463 50 P HA 0.092 nan 4.420 nan 0.000 0.267 50 P C -0.481 176.917 177.300 0.165 0.000 1.205 50 P CA 0.162 63.355 63.100 0.155 0.000 0.765 50 P CB 1.742 33.516 31.700 0.124 0.000 0.828 51 V N 2.508 122.448 119.914 0.043 0.000 2.966 51 V HA 0.520 4.640 4.120 -0.000 0.000 0.317 51 V C 0.587 176.688 176.094 0.012 0.000 1.070 51 V CA -0.298 62.004 62.300 0.003 0.000 1.008 51 V CB 1.700 33.448 31.823 -0.124 0.000 1.070 51 V HN 0.654 nan 8.190 nan 0.000 0.457 52 S N 2.248 117.952 115.700 0.007 0.000 2.775 52 S HA 0.564 5.034 4.470 -0.000 0.000 0.277 52 S C -0.908 173.688 174.600 -0.006 0.000 1.156 52 S CA -0.566 57.636 58.200 0.004 0.000 1.081 52 S CB 0.451 63.662 63.200 0.018 0.000 1.054 52 S HN 0.657 nan 8.310 nan 0.000 0.482 53 I N 2.445 123.004 120.570 -0.017 0.000 2.362 53 I HA 0.898 5.068 4.170 -0.000 0.000 0.289 53 I C 0.818 176.931 176.117 -0.008 0.000 0.994 53 I CA 0.028 61.319 61.300 -0.016 0.000 1.158 53 I CB 0.947 38.928 38.000 -0.033 0.000 1.315 53 I HN 0.802 nan 8.210 nan 0.000 0.451 54 G N 5.032 113.832 108.800 -0.001 0.000 2.561 54 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.289 54 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.289 54 G C 0.497 175.398 174.900 0.001 0.000 1.169 54 G CA 0.546 45.647 45.100 0.001 0.000 0.980 54 G HN 1.629 nan 8.290 nan 0.000 0.550 55 A N -0.038 122.782 122.820 -0.000 0.000 2.564 55 A HA 0.647 4.967 4.320 -0.000 0.000 0.279 55 A C 0.701 178.284 177.584 -0.002 0.000 1.232 55 A CA 1.032 53.069 52.037 -0.000 0.000 0.950 55 A CB 0.215 19.215 19.000 0.000 0.000 1.138 55 A HN 0.577 nan 8.150 nan 0.000 0.526 56 K N -0.302 120.096 120.400 -0.004 0.000 2.313 56 K HA 0.648 4.968 4.320 -0.000 0.000 0.235 56 K C 0.068 176.664 176.600 -0.007 0.000 1.035 56 K CA -0.352 55.931 56.287 -0.006 0.000 0.868 56 K CB 1.546 34.041 32.500 -0.008 0.000 1.232 56 K HN 0.255 nan 8.250 nan 0.000 0.459 57 T N -3.148 111.401 114.554 -0.008 0.000 2.841 57 T HA 0.648 4.998 4.350 -0.000 0.000 0.276 57 T C -0.676 174.017 174.700 -0.013 0.000 1.003 57 T CA -0.768 61.328 62.100 -0.006 0.000 0.995 57 T CB 1.121 69.988 68.868 -0.000 0.000 1.260 57 T HN 0.172 nan 8.240 nan 0.000 0.581 58 V N 2.324 122.233 119.914 -0.009 0.000 2.568 58 V HA 0.379 4.499 4.120 -0.000 0.000 0.276 58 V C -2.576 173.520 176.094 0.003 0.000 1.002 58 V CA -1.611 60.682 62.300 -0.012 0.000 0.879 58 V CB 1.168 32.976 31.823 -0.026 0.000 1.040 58 V HN 0.902 nan 8.190 nan 0.000 0.457 59 P HA -0.017 nan 4.420 nan 0.000 0.261 59 P C -0.350 176.956 177.300 0.009 0.000 1.173 59 P CA -0.053 63.045 63.100 -0.003 0.000 0.760 59 P CB 0.562 32.244 31.700 -0.031 0.000 0.783 60 K N 2.853 123.265 120.400 0.021 0.000 2.167 60 K HA 0.267 4.587 4.320 -0.000 0.000 0.275 60 K C -0.736 175.843 176.600 -0.036 0.000 1.103 60 K CA -0.363 55.931 56.287 0.010 0.000 0.963 60 K CB -0.360 32.176 32.500 0.061 0.000 1.243 60 K HN 0.082 nan 8.250 nan 0.000 0.407 61 V N 3.607 123.490 119.914 -0.052 0.000 2.320 61 V HA 0.168 4.288 4.120 -0.000 0.000 0.265 61 V C 0.121 176.103 176.094 -0.185 0.000 1.048 61 V CA -0.398 61.876 62.300 -0.044 0.000 0.865 61 V CB 0.443 32.295 31.823 0.048 0.000 1.043 61 V HN 0.887 nan 8.190 nan 0.000 0.474 62 S N 4.097 119.664 115.700 -0.222 0.000 2.745 62 S HA 0.727 5.197 4.470 -0.000 0.000 0.292 62 S C 1.094 175.503 174.600 -0.319 0.000 1.133 62 S CA 0.130 58.082 58.200 -0.413 0.000 0.998 62 S CB 1.931 64.937 63.200 -0.323 0.000 1.087 62 S HN 0.804 nan 8.310 nan 0.000 0.551 63 A N 1.289 123.885 122.820 -0.374 0.000 2.308 63 A HA 0.348 4.668 4.320 -0.000 0.000 0.217 63 A C 0.501 178.010 177.584 -0.124 0.000 1.216 63 A CA -0.187 51.769 52.037 -0.134 0.000 0.864 63 A CB -0.413 18.549 19.000 -0.064 0.000 0.902 63 A HN 0.795 nan 8.150 nan 0.000 0.499 64 N N 1.358 119.954 118.700 -0.173 0.000 2.818 64 N HA 0.208 4.948 4.740 -0.000 0.000 0.301 64 N C -1.316 174.082 175.510 -0.185 0.000 1.821 64 N CA 0.001 52.944 53.050 -0.179 0.000 0.930 64 N CB 0.657 39.049 38.487 -0.159 0.000 1.263 64 N HN 0.485 nan 8.380 nan 0.000 0.487 65 Q N 0.753 120.441 119.800 -0.187 0.000 2.284 65 Q HA 0.237 4.577 4.340 -0.000 0.000 0.269 65 Q C -1.271 174.636 176.000 -0.154 0.000 1.026 65 Q CA -0.692 55.039 55.803 -0.121 0.000 0.831 65 Q CB 1.771 30.494 28.738 -0.024 0.000 1.322 65 Q HN 0.310 nan 8.270 nan 0.000 0.419 66 Y N 1.743 122.001 120.300 -0.069 0.000 2.730 66 Y HA 0.047 4.597 4.550 -0.000 0.000 0.354 66 Y C 0.499 176.290 175.900 -0.182 0.000 1.139 66 Y CA -0.394 57.635 58.100 -0.119 0.000 1.516 66 Y CB 0.199 38.574 38.460 -0.141 0.000 1.204 66 Y HN 0.164 nan 8.280 nan 0.000 0.520 67 R N 2.859 123.253 120.500 -0.177 0.000 2.404 67 R HA 0.133 4.473 4.340 -0.000 0.000 0.315 67 R C -0.834 175.055 176.300 -0.685 0.000 1.032 67 R CA -0.269 55.576 56.100 -0.426 0.000 0.992 67 R CB 0.153 29.974 30.300 -0.798 0.000 0.959 67 R HN 0.360 nan 8.270 nan 0.000 0.428 68 V N 6.532 126.167 119.914 -0.464 0.000 2.313 68 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 68 V C -0.053 175.812 176.094 -0.382 0.000 1.017 68 V CA -0.558 61.463 62.300 -0.465 0.000 0.823 68 V CB 0.504 32.145 31.823 -0.304 0.000 1.010 68 V HN 0.494 nan 8.190 nan 0.000 0.443 69 F N 3.579 123.424 119.950 -0.175 0.000 2.384 69 F HA 0.467 4.994 4.527 -0.000 0.000 0.338 69 F C 0.575 176.174 175.800 -0.336 0.000 1.103 69 F CA -0.531 57.351 58.000 -0.196 0.000 1.157 69 F CB 1.092 39.928 39.000 -0.273 0.000 1.167 69 F HN 0.268 nan 8.300 nan 0.000 0.529 70 K N 3.868 124.239 120.400 -0.048 0.000 2.334 70 K HA 0.450 4.770 4.320 -0.000 0.000 0.265 70 K C -1.373 175.104 176.600 -0.205 0.000 1.039 70 K CA -0.717 55.350 56.287 -0.367 0.000 0.920 70 K CB 0.547 32.971 32.500 -0.125 0.000 1.160 70 K HN 0.483 nan 8.250 nan 0.000 0.451 71 I N 4.208 124.612 120.570 -0.277 0.000 2.281 71 I HA 0.113 4.283 4.170 -0.000 0.000 0.293 71 I C 0.264 176.248 176.117 -0.222 0.000 1.085 71 I CA 0.008 61.156 61.300 -0.253 0.000 1.257 71 I CB 1.065 38.823 38.000 -0.403 0.000 1.430 71 I HN 0.547 nan 8.210 nan 0.000 0.489 72 Q N 6.025 125.744 119.800 -0.135 0.000 2.279 72 Q HA 0.501 4.841 4.340 -0.000 0.000 0.256 72 Q C -0.846 175.122 176.000 -0.053 0.000 0.937 72 Q CA -0.441 55.322 55.803 -0.068 0.000 0.933 72 Q CB 0.938 29.668 28.738 -0.014 0.000 1.189 72 Q HN 0.593 nan 8.270 nan 0.000 0.417 73 L N 5.015 126.237 121.223 -0.003 0.000 2.431 73 L HA 0.538 4.878 4.340 -0.000 0.000 0.260 73 L C -2.082 174.882 176.870 0.156 0.000 1.098 73 L CA -2.386 52.483 54.840 0.048 0.000 0.800 73 L CB 0.889 43.033 42.059 0.141 0.000 1.210 73 L HN 0.610 nan 8.230 nan 0.000 0.465 74 P HA 0.097 nan 4.420 nan 0.000 0.293 74 P C -1.174 176.360 177.300 0.390 0.000 1.300 74 P CA -0.511 62.779 63.100 0.317 0.000 0.792 74 P CB 0.650 32.587 31.700 0.394 0.000 0.925 75 D N 5.825 126.383 120.400 0.263 0.000 2.434 75 D HA -0.029 4.611 4.640 -0.000 0.000 0.252 75 D C -1.218 175.153 176.300 0.119 0.000 1.185 75 D CA -1.267 52.837 54.000 0.174 0.000 0.886 75 D CB 0.919 41.812 40.800 0.155 0.000 1.148 75 D HN 0.195 nan 8.370 nan 0.000 0.483 76 P HA -0.112 nan 4.420 nan 0.000 0.217 76 P C 0.939 178.087 177.300 -0.255 0.000 1.151 76 P CA 0.933 63.645 63.100 -0.648 0.000 0.828 76 P CB 0.162 31.125 31.700 -1.228 0.000 0.788 77 N N -0.762 117.889 118.700 -0.083 0.000 2.571 77 N HA -0.083 4.657 4.740 -0.000 0.000 0.189 77 N C 1.345 176.910 175.510 0.091 0.000 1.154 77 N CA 0.038 53.098 53.050 0.016 0.000 0.907 77 N CB -0.028 38.483 38.487 0.041 0.000 0.977 77 N HN 0.177 nan 8.380 nan 0.000 0.449 78 Q N -0.037 119.851 119.800 0.146 0.000 2.182 78 Q HA 0.151 4.491 4.340 -0.000 0.000 0.305 78 Q C -0.886 175.247 176.000 0.222 0.000 0.880 78 Q CA -0.381 55.515 55.803 0.154 0.000 1.131 78 Q CB 0.286 29.102 28.738 0.130 0.000 1.237 78 Q HN 0.103 nan 8.270 nan 0.000 0.447 79 F N 0.165 120.104 119.950 -0.018 0.000 2.266 79 F HA 0.642 5.169 4.527 -0.000 0.000 0.306 79 F C 0.414 176.213 175.800 -0.000 0.000 1.016 79 F CA -0.739 57.259 58.000 -0.003 0.000 1.127 79 F CB 0.583 39.574 39.000 -0.016 0.000 1.735 79 F HN 0.053 nan 8.300 nan 0.000 0.540 80 A N 0.978 123.922 122.820 0.206 0.000 2.304 80 A HA 0.706 5.026 4.320 -0.000 0.000 0.323 80 A C -1.493 176.177 177.584 0.144 0.000 1.195 80 A CA -0.482 51.617 52.037 0.102 0.000 0.826 80 A CB 0.168 19.188 19.000 0.034 0.000 1.184 80 A HN 0.576 nan 8.150 nan 0.000 0.496 81 L N 3.707 124.970 121.223 0.067 0.000 2.401 81 L HA 0.353 4.693 4.340 -0.000 0.000 0.263 81 L C -2.022 174.863 176.870 0.025 0.000 1.004 81 L CA -1.449 53.413 54.840 0.038 0.000 0.881 81 L CB 1.800 43.843 42.059 -0.027 0.000 1.219 81 L HN 0.509 nan 8.230 nan 0.000 0.441 82 P HA -0.017 nan 4.420 nan 0.000 0.233 82 P C -0.554 176.757 177.300 0.018 0.000 1.167 82 P CA 0.754 63.872 63.100 0.030 0.000 0.770 82 P CB 0.114 31.840 31.700 0.044 0.000 0.837 83 D N -2.586 117.823 120.400 0.014 0.000 2.497 83 D HA 0.267 4.907 4.640 -0.000 0.000 0.243 83 D C 0.903 177.198 176.300 -0.009 0.000 1.039 83 D CA -0.851 53.153 54.000 0.006 0.000 1.052 83 D CB 0.911 41.720 40.800 0.016 0.000 1.344 83 D HN -0.351 nan 8.370 nan 0.000 0.553 84 R N -0.529 119.966 120.500 -0.008 0.000 2.210 84 R HA 0.088 4.428 4.340 -0.000 0.000 0.203 84 R C 1.491 177.782 176.300 -0.016 0.000 1.010 84 R CA 0.534 56.624 56.100 -0.017 0.000 1.008 84 R CB -0.671 29.623 30.300 -0.010 0.000 0.923 84 R HN 0.550 nan 8.270 nan 0.000 0.469 85 T N 1.144 115.696 114.554 -0.004 0.000 2.833 85 T HA -0.027 4.323 4.350 -0.000 0.000 0.269 85 T C 1.101 175.803 174.700 0.004 0.000 1.054 85 T CA 0.527 62.631 62.100 0.006 0.000 1.135 85 T CB -0.045 68.833 68.868 0.017 0.000 0.869 85 T HN -0.097 nan 8.240 nan 0.000 0.466 86 V N 3.834 123.739 119.914 -0.015 0.000 2.901 86 V HA -0.014 4.106 4.120 -0.000 0.000 0.307 86 V C 0.965 177.004 176.094 -0.091 0.000 1.084 86 V CA -0.694 61.582 62.300 -0.040 0.000 1.184 86 V CB 0.033 31.806 31.823 -0.084 0.000 0.941 86 V HN 0.643 nan 8.190 nan 0.000 0.493 87 H N 3.815 122.860 119.070 -0.041 0.000 3.038 87 H HA -0.011 4.545 4.556 -0.000 0.000 0.338 87 H C 0.303 175.601 175.328 -0.050 0.000 1.041 87 H CA 0.003 56.020 56.048 -0.052 0.000 1.394 87 H CB 0.035 29.748 29.762 -0.081 0.000 1.357 87 H HN 0.785 nan 8.280 nan 0.000 0.600 88 N N 3.451 122.166 118.700 0.025 0.000 2.395 88 N HA -0.047 4.693 4.740 -0.000 0.000 0.246 88 N C -1.458 174.053 175.510 0.002 0.000 1.246 88 N CA -1.316 51.723 53.050 -0.018 0.000 0.879 88 N CB 0.785 39.276 38.487 0.005 0.000 1.098 88 N HN 0.423 nan 8.380 nan 0.000 0.444 89 P HA -0.069 nan 4.420 nan 0.000 0.216 89 P C 0.305 177.610 177.300 0.008 0.000 1.150 89 P CA 1.307 64.389 63.100 -0.030 0.000 0.837 89 P CB 0.302 31.980 31.700 -0.037 0.000 0.786 90 S N -1.680 114.020 115.700 0.000 0.000 2.511 90 S HA 0.136 4.606 4.470 -0.000 0.000 0.214 90 S C 1.484 176.071 174.600 -0.021 0.000 0.997 90 S CA 0.115 58.308 58.200 -0.011 0.000 0.908 90 S CB -0.063 63.131 63.200 -0.011 0.000 0.803 90 S HN 0.202 nan 8.310 nan 0.000 0.504 91 K N 1.150 121.546 120.400 -0.007 0.000 2.076 91 K HA 0.122 4.442 4.320 -0.000 0.000 0.204 91 K C 0.424 176.985 176.600 -0.065 0.000 1.051 91 K CA 0.886 57.159 56.287 -0.023 0.000 0.949 91 K CB 0.182 32.679 32.500 -0.004 0.000 0.726 91 K HN 0.375 nan 8.250 nan 0.000 0.443 92 E N -0.234 119.928 120.200 -0.063 0.000 2.416 92 E HA 0.366 4.716 4.350 -0.000 0.000 0.273 92 E C -0.863 175.445 176.600 -0.485 0.000 0.935 92 E CA -0.967 55.290 56.400 -0.238 0.000 0.784 92 E CB 1.937 31.500 29.700 -0.228 0.000 1.301 92 E HN -0.116 nan 8.360 nan 0.000 0.454 93 R N 0.857 120.893 120.500 -0.773 0.000 2.744 93 R HA 0.563 4.903 4.340 -0.000 0.000 0.279 93 R C -0.930 174.874 176.300 -0.827 0.000 0.977 93 R CA -0.767 54.794 56.100 -0.898 0.000 0.906 93 R CB 1.236 30.749 30.300 -1.312 0.000 1.197 93 R HN 0.460 nan 8.270 nan 0.000 0.463 94 L N 1.504 122.357 121.223 -0.616 0.000 2.334 94 L HA 0.742 5.082 4.340 -0.000 0.000 0.272 94 L C 0.462 177.139 176.870 -0.323 0.000 1.020 94 L CA -0.958 53.623 54.840 -0.432 0.000 0.812 94 L CB 1.793 43.651 42.059 -0.334 0.000 1.264 94 L HN 0.473 nan 8.230 nan 0.000 0.439 95 V N -2.539 117.166 119.914 -0.349 0.000 3.065 95 V HA 0.563 4.683 4.120 -0.000 0.000 0.312 95 V C -1.729 174.079 176.094 -0.477 0.000 1.412 95 V CA -1.057 61.064 62.300 -0.299 0.000 1.039 95 V CB 1.674 33.514 31.823 0.028 0.000 1.077 95 V HN 0.767 nan 8.190 nan 0.000 0.473 96 W N -0.476 120.764 121.300 -0.100 0.000 2.706 96 W HA 0.872 5.532 4.660 -0.000 0.000 0.346 96 W C -0.294 176.116 176.519 -0.181 0.000 1.071 96 W CA -0.426 56.825 57.345 -0.157 0.000 1.206 96 W CB 2.350 31.726 29.460 -0.140 0.000 1.413 96 W HN 0.964 nan 8.180 nan 0.000 0.542 97 A N 1.933 124.846 122.820 0.155 0.000 2.402 97 A HA 0.608 4.928 4.320 -0.000 0.000 0.291 97 A C -0.842 176.719 177.584 -0.038 0.000 1.051 97 A CA -0.731 51.279 52.037 -0.046 0.000 0.716 97 A CB 0.398 19.328 19.000 -0.116 0.000 1.223 97 A HN 0.579 nan 8.150 nan 0.000 0.425 98 V N 1.434 121.325 119.914 -0.039 0.000 2.686 98 V HA 0.487 4.607 4.120 -0.000 0.000 0.295 98 V C 0.701 176.801 176.094 0.011 0.000 1.055 98 V CA 0.040 62.370 62.300 0.050 0.000 1.050 98 V CB 0.467 32.418 31.823 0.214 0.000 0.984 98 V HN 0.797 nan 8.190 nan 0.000 0.482 99 I N 2.010 122.631 120.570 0.084 0.000 4.197 99 I HA 0.472 4.642 4.170 -0.000 0.000 0.307 99 I C 1.183 177.426 176.117 0.211 0.000 1.236 99 I CA 0.763 62.121 61.300 0.097 0.000 1.321 99 I CB 0.650 38.776 38.000 0.211 0.000 1.309 99 I HN 0.819 nan 8.210 nan 0.000 0.450 100 G N 1.025 109.980 108.800 0.257 0.000 2.638 100 G HA2 0.659 4.619 3.960 -0.000 0.000 0.302 100 G HA3 0.659 4.619 3.960 -0.000 0.000 0.302 100 G C -1.540 173.315 174.900 -0.075 0.000 1.365 100 G CA -0.293 44.878 45.100 0.118 0.000 0.987 100 G HN -0.183 nan 8.290 nan 0.000 0.495 101 V N 1.140 120.914 119.914 -0.233 0.000 2.760 101 V HA 0.633 4.753 4.120 -0.000 0.000 0.309 101 V C -0.592 175.318 176.094 -0.308 0.000 1.077 101 V CA -0.778 61.331 62.300 -0.318 0.000 0.910 101 V CB 2.012 33.792 31.823 -0.072 0.000 1.008 101 V HN 0.770 nan 8.190 nan 0.000 0.424 102 Q N 2.925 122.509 119.800 -0.360 0.000 2.483 102 Q HA 0.434 4.774 4.340 -0.000 0.000 0.245 102 Q C -1.873 174.039 176.000 -0.147 0.000 0.902 102 Q CA -0.264 55.393 55.803 -0.243 0.000 0.767 102 Q CB 2.224 30.808 28.738 -0.257 0.000 1.341 102 Q HN 0.645 nan 8.270 nan 0.000 0.453 103 V N 2.444 122.368 119.914 0.018 0.000 2.455 103 V HA 0.243 4.363 4.120 -0.000 0.000 0.273 103 V C 0.248 176.442 176.094 0.168 0.000 1.045 103 V CA 0.022 62.402 62.300 0.132 0.000 0.976 103 V CB 1.327 33.363 31.823 0.356 0.000 0.993 103 V HN 0.616 nan 8.190 nan 0.000 0.475 104 S N 5.836 121.573 115.700 0.062 0.000 2.437 104 S HA 0.530 5.000 4.470 -0.000 0.000 0.305 104 S C -0.207 174.362 174.600 -0.053 0.000 1.109 104 S CA -0.845 57.368 58.200 0.022 0.000 1.099 104 S CB 0.445 63.641 63.200 -0.007 0.000 1.004 104 S HN 0.690 nan 8.310 nan 0.000 0.475 105 R N 3.175 123.594 120.500 -0.134 0.000 2.275 105 R HA 0.349 4.689 4.340 -0.000 0.000 0.326 105 R C 0.116 176.291 176.300 -0.209 0.000 0.973 105 R CA -0.438 55.488 56.100 -0.291 0.000 0.854 105 R CB 1.361 31.378 30.300 -0.472 0.000 1.156 105 R HN 0.676 nan 8.270 nan 0.000 0.487 106 G N 2.927 111.603 108.800 -0.206 0.000 2.607 106 G HA2 0.323 4.283 3.960 -0.000 0.000 0.332 106 G HA3 0.323 4.283 3.960 -0.000 0.000 0.332 106 G C -0.342 174.468 174.900 -0.149 0.000 1.046 106 G CA -0.075 44.942 45.100 -0.140 0.000 1.099 106 G HN 0.306 nan 8.290 nan 0.000 0.451 107 Q N 0.696 120.418 119.800 -0.131 0.000 2.702 107 Q HA 0.279 4.619 4.340 -0.000 0.000 0.289 107 Q C -2.864 173.083 176.000 -0.087 0.000 0.923 107 Q CA -1.121 54.610 55.803 -0.121 0.000 0.787 107 Q CB 2.012 30.651 28.738 -0.165 0.000 1.476 107 Q HN 0.329 nan 8.270 nan 0.000 0.402 108 P HA 0.250 nan 4.420 nan 0.000 0.276 108 P C -0.374 176.902 177.300 -0.040 0.000 1.235 108 P CA -0.640 62.433 63.100 -0.045 0.000 0.772 108 P CB 0.354 32.032 31.700 -0.036 0.000 0.871 109 L N 2.748 123.957 121.223 -0.023 0.000 2.482 109 L HA 0.533 4.873 4.340 -0.000 0.000 0.273 109 L C 0.710 177.579 176.870 -0.001 0.000 1.228 109 L CA 1.434 56.269 54.840 -0.009 0.000 0.827 109 L CB -0.320 41.742 42.059 0.006 0.000 1.099 109 L HN 0.731 nan 8.230 nan 0.000 0.494 110 G N 1.302 110.108 108.800 0.010 0.000 2.313 110 G HA2 0.470 4.430 3.960 -0.000 0.000 0.296 110 G HA3 0.470 4.430 3.960 -0.000 0.000 0.296 110 G C -1.091 173.825 174.900 0.028 0.000 1.356 110 G CA -0.412 44.700 45.100 0.019 0.000 0.833 110 G HN 0.915 nan 8.290 nan 0.000 0.552 111 G N -0.860 107.961 108.800 0.035 0.000 2.410 111 G HA2 0.590 4.550 3.960 -0.000 0.000 0.330 111 G HA3 0.590 4.550 3.960 -0.000 0.000 0.330 111 G C -0.323 174.600 174.900 0.038 0.000 1.142 111 G CA -0.129 44.994 45.100 0.037 0.000 0.902 111 G HN 0.652 nan 8.290 nan 0.000 0.491 112 T N 0.698 115.268 114.554 0.027 0.000 2.799 112 T HA 0.502 4.852 4.350 -0.000 0.000 0.286 112 T C 0.033 174.740 174.700 0.012 0.000 0.973 112 T CA -0.158 61.951 62.100 0.015 0.000 1.035 112 T CB 1.457 70.315 68.868 -0.016 0.000 0.932 112 T HN 0.284 nan 8.240 nan 0.000 0.469 113 V N 2.334 122.261 119.914 0.022 0.000 2.960 113 V HA 0.878 4.998 4.120 -0.000 0.000 0.315 113 V C 0.159 176.269 176.094 0.028 0.000 1.087 113 V CA -0.705 61.622 62.300 0.044 0.000 0.982 113 V CB 2.287 34.163 31.823 0.087 0.000 1.039 113 V HN 0.946 nan 8.190 nan 0.000 0.437 114 T N 1.014 115.610 114.554 0.070 0.000 2.932 114 T HA 0.770 5.120 4.350 -0.000 0.000 0.318 114 T C -0.322 174.500 174.700 0.203 0.000 1.265 114 T CA 0.377 62.546 62.100 0.115 0.000 1.036 114 T CB 1.686 70.565 68.868 0.018 0.000 1.209 114 T HN 1.191 nan 8.240 nan 0.000 0.484 115 G N 1.744 110.741 108.800 0.329 0.000 2.976 115 G HA2 0.665 4.625 3.960 -0.000 0.000 0.276 115 G HA3 0.665 4.625 3.960 -0.000 0.000 0.276 115 G C -1.540 173.565 174.900 0.342 0.000 1.207 115 G CA -0.361 44.892 45.100 0.255 0.000 0.803 115 G HN 0.945 nan 8.290 nan 0.000 0.572 116 H N -0.173 118.991 119.070 0.156 0.000 3.140 116 H HA 0.241 4.797 4.556 -0.000 0.000 0.336 116 H C -2.116 173.290 175.328 0.130 0.000 1.142 116 H CA -0.713 55.440 56.048 0.174 0.000 1.308 116 H CB 2.769 32.703 29.762 0.287 0.000 1.970 116 H HN 0.289 nan 8.280 nan 0.000 0.521 117 P HA -0.117 nan 4.420 nan 0.000 0.213 117 P C 0.487 177.881 177.300 0.157 0.000 1.170 117 P CA 1.619 64.667 63.100 -0.087 0.000 0.902 117 P CB 0.114 31.684 31.700 -0.217 0.000 0.789 118 T N -3.525 111.266 114.554 0.394 0.000 3.064 118 T HA 0.470 4.820 4.350 -0.000 0.000 0.367 118 T C -0.638 174.285 174.700 0.372 0.000 1.202 118 T CA -0.895 61.423 62.100 0.363 0.000 1.133 118 T CB -0.463 68.522 68.868 0.195 0.000 1.074 118 T HN -0.190 nan 8.240 nan 0.000 0.519 119 F N 3.014 123.035 119.950 0.118 0.000 2.368 119 F HA 0.600 5.127 4.527 -0.000 0.000 0.315 119 F C 0.532 176.294 175.800 -0.064 0.000 1.145 119 F CA -1.021 56.940 58.000 -0.065 0.000 1.095 119 F CB 1.214 40.210 39.000 -0.007 0.000 1.286 119 F HN 0.607 nan 8.300 nan 0.000 0.530 120 N N 2.302 120.556 118.700 -0.744 0.000 2.817 120 N HA 0.498 5.238 4.740 -0.000 0.000 0.234 120 N C -1.882 173.515 175.510 -0.189 0.000 1.066 120 N CA -0.170 52.632 53.050 -0.413 0.000 0.926 120 N CB 0.468 38.678 38.487 -0.461 0.000 1.176 120 N HN 0.685 nan 8.380 nan 0.000 0.506 121 A N 3.771 126.597 122.820 0.011 0.000 2.522 121 A HA 0.371 4.691 4.320 -0.000 0.000 0.285 121 A C 0.688 178.258 177.584 -0.023 0.000 1.198 121 A CA -0.592 51.491 52.037 0.078 0.000 0.742 121 A CB 0.325 19.324 19.000 -0.001 0.000 1.176 121 A HN 0.581 nan 8.150 nan 0.000 0.444 122 L N 1.570 122.795 121.223 0.002 0.000 2.056 122 L HA 0.116 4.456 4.340 -0.000 0.000 0.207 122 L C 0.243 177.102 176.870 -0.019 0.000 1.078 122 L CA 1.336 56.167 54.840 -0.016 0.000 0.749 122 L CB -0.304 41.750 42.059 -0.009 0.000 0.901 122 L HN 0.608 nan 8.230 nan 0.000 0.433 123 L N -1.744 119.484 121.223 0.007 0.000 2.838 123 L HA 0.313 4.653 4.340 -0.000 0.000 0.266 123 L C -1.858 175.064 176.870 0.087 0.000 1.040 123 L CA -0.983 53.870 54.840 0.023 0.000 0.906 123 L CB 2.115 44.196 42.059 0.036 0.000 1.501 123 L HN -0.017 nan 8.230 nan 0.000 0.407 124 D N 0.164 120.625 120.400 0.101 0.000 2.714 124 D HA 0.529 5.169 4.640 -0.000 0.000 0.278 124 D C -0.489 175.889 176.300 0.130 0.000 1.102 124 D CA -0.678 53.438 54.000 0.194 0.000 1.108 124 D CB 1.610 42.557 40.800 0.244 0.000 1.444 124 D HN 0.564 nan 8.370 nan 0.000 0.568 125 A N -0.152 122.747 122.820 0.131 0.000 2.915 125 A HA 0.433 4.753 4.320 -0.000 0.000 0.292 125 A C -0.174 177.453 177.584 0.072 0.000 1.632 125 A CA 0.008 52.088 52.037 0.072 0.000 1.337 125 A CB -1.006 18.022 19.000 0.046 0.000 1.111 125 A HN 0.439 nan 8.150 nan 0.000 0.569 126 E N 1.083 121.317 120.200 0.057 0.000 2.292 126 E HA 0.432 4.782 4.350 -0.000 0.000 0.272 126 E C -0.082 176.538 176.600 0.034 0.000 0.881 126 E CA -0.585 55.844 56.400 0.049 0.000 0.754 126 E CB 0.995 30.726 29.700 0.052 0.000 1.201 126 E HN 0.270 nan 8.360 nan 0.000 0.425 127 N N 2.308 121.025 118.700 0.028 0.000 2.405 127 N HA 0.044 4.784 4.740 -0.000 0.000 0.175 127 N C 0.644 176.166 175.510 0.021 0.000 1.051 127 N CA 0.606 53.669 53.050 0.022 0.000 0.899 127 N CB 0.563 39.061 38.487 0.018 0.000 1.000 127 N HN 0.286 nan 8.380 nan 0.000 0.451 128 V N 1.601 121.529 119.914 0.022 0.000 3.542 128 V HA 0.083 4.203 4.120 -0.000 0.000 0.296 128 V C 0.081 176.186 176.094 0.019 0.000 1.364 128 V CA -0.326 61.986 62.300 0.019 0.000 1.118 128 V CB -1.038 30.796 31.823 0.019 0.000 0.972 128 V HN 0.339 nan 8.190 nan 0.000 0.430 129 N N 1.889 120.602 118.700 0.021 0.000 2.518 129 N HA 0.052 4.792 4.740 -0.000 0.000 0.266 129 N C 0.219 175.738 175.510 0.015 0.000 1.196 129 N CA -0.338 52.722 53.050 0.018 0.000 0.947 129 N CB 0.709 39.208 38.487 0.020 0.000 1.098 129 N HN 0.346 nan 8.380 nan 0.000 0.450 130 R N 0.892 121.399 120.500 0.012 0.000 2.873 130 R HA -0.050 4.290 4.340 -0.000 0.000 0.267 130 R C -0.092 176.214 176.300 0.011 0.000 1.009 130 R CA 0.110 56.217 56.100 0.011 0.000 1.152 130 R CB 0.461 30.765 30.300 0.007 0.000 1.047 130 R HN 0.577 nan 8.270 nan 0.000 0.470 131 K N 1.165 121.572 120.400 0.011 0.000 2.382 131 K HA 0.060 4.380 4.320 -0.000 0.000 0.275 131 K C -0.428 176.178 176.600 0.009 0.000 1.009 131 K CA -0.376 55.918 56.287 0.012 0.000 0.970 131 K CB 0.849 33.356 32.500 0.013 0.000 0.934 131 K HN 0.294 nan 8.250 nan 0.000 0.479 132 V N 3.781 123.701 119.914 0.009 0.000 2.452 132 V HA -0.074 4.046 4.120 -0.000 0.000 0.286 132 V C 0.418 176.512 176.094 -0.000 0.000 0.995 132 V CA 0.423 62.725 62.300 0.005 0.000 1.116 132 V CB -0.306 31.520 31.823 0.005 0.000 0.954 132 V HN 0.733 nan 8.190 nan 0.000 0.473 133 T N 4.560 119.112 114.554 -0.003 0.000 2.919 133 T HA 0.140 4.490 4.350 -0.000 0.000 0.302 133 T C 0.720 175.414 174.700 -0.009 0.000 1.031 133 T CA -0.314 61.783 62.100 -0.005 0.000 1.127 133 T CB 0.472 69.336 68.868 -0.006 0.000 0.952 133 T HN 0.786 nan 8.240 nan 0.000 0.540 134 T N 3.985 118.533 114.554 -0.010 0.000 2.939 134 T HA -0.012 4.338 4.350 -0.000 0.000 0.319 134 T C 0.712 175.402 174.700 -0.017 0.000 1.082 134 T CA -0.030 62.062 62.100 -0.014 0.000 1.133 134 T CB 0.123 68.983 68.868 -0.013 0.000 1.019 134 T HN 0.501 nan 8.240 nan 0.000 0.548 135 Q N 2.008 121.796 119.800 -0.021 0.000 2.274 135 Q HA 0.142 4.482 4.340 -0.000 0.000 0.280 135 Q C 0.708 176.695 176.000 -0.021 0.000 1.047 135 Q CA 0.072 55.861 55.803 -0.024 0.000 0.907 135 Q CB 0.173 28.893 28.738 -0.030 0.000 1.171 135 Q HN 0.575 nan 8.270 nan 0.000 0.381 136 T N 1.282 115.824 114.554 -0.020 0.000 2.771 136 T HA 0.021 4.371 4.350 -0.000 0.000 0.290 136 T C 1.507 176.195 174.700 -0.020 0.000 1.005 136 T CA -0.386 61.703 62.100 -0.018 0.000 0.944 136 T CB 0.570 69.429 68.868 -0.015 0.000 1.147 136 T HN 0.595 nan 8.240 nan 0.000 0.534 137 T N 1.038 115.581 114.554 -0.018 0.000 2.759 137 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 137 T C 0.597 175.284 174.700 -0.021 0.000 1.042 137 T CA 1.291 63.379 62.100 -0.019 0.000 1.140 137 T CB -0.082 68.777 68.868 -0.015 0.000 0.864 137 T HN 0.494 nan 8.240 nan 0.000 0.455 138 D N -0.301 120.088 120.400 -0.019 0.000 2.732 138 D HA 0.244 4.884 4.640 -0.000 0.000 0.229 138 D C -0.895 175.393 176.300 -0.021 0.000 1.152 138 D CA -0.562 53.426 54.000 -0.021 0.000 0.854 138 D CB 1.752 42.544 40.800 -0.014 0.000 1.590 138 D HN 0.003 nan 8.370 nan 0.000 0.468 139 D N 1.284 121.669 120.400 -0.025 0.000 2.516 139 D HA 0.079 4.719 4.640 -0.000 0.000 0.241 139 D C 0.403 176.688 176.300 -0.024 0.000 1.246 139 D CA -0.235 53.750 54.000 -0.026 0.000 0.808 139 D CB 1.051 41.831 40.800 -0.032 0.000 1.147 139 D HN 0.141 nan 8.370 nan 0.000 0.527 140 R N 1.516 122.006 120.500 -0.017 0.000 2.811 140 R HA 0.318 4.658 4.340 -0.000 0.000 0.265 140 R C 0.523 176.837 176.300 0.022 0.000 1.026 140 R CA 0.569 56.673 56.100 0.007 0.000 1.142 140 R CB 0.670 30.984 30.300 0.023 0.000 1.027 140 R HN -0.033 nan 8.270 nan 0.000 0.465 141 K N 0.570 121.002 120.400 0.053 0.000 2.507 141 K HA 0.169 4.489 4.320 -0.000 0.000 0.284 141 K C -1.178 175.468 176.600 0.076 0.000 1.038 141 K CA -1.048 55.260 56.287 0.034 0.000 0.903 141 K CB 1.343 33.832 32.500 -0.019 0.000 1.531 141 K HN 0.394 nan 8.250 nan 0.000 0.430 142 Q N 1.210 121.039 119.800 0.048 0.000 2.286 142 Q HA 0.204 4.544 4.340 -0.000 0.000 0.257 142 Q C -1.040 174.982 176.000 0.037 0.000 0.941 142 Q CA 0.352 56.195 55.803 0.067 0.000 0.912 142 Q CB 1.045 29.809 28.738 0.043 0.000 1.192 142 Q HN 0.406 nan 8.270 nan 0.000 0.410 143 T N 2.332 116.923 114.554 0.061 0.000 2.812 143 T HA 0.511 4.861 4.350 -0.000 0.000 0.282 143 T C -0.271 174.439 174.700 0.016 0.000 0.990 143 T CA -0.616 61.461 62.100 -0.037 0.000 0.960 143 T CB 1.451 70.195 68.868 -0.207 0.000 0.948 143 T HN 0.693 nan 8.240 nan 0.000 0.438 144 G N 1.644 110.467 108.800 0.039 0.000 2.400 144 G HA2 0.641 4.601 3.960 -0.000 0.000 0.301 144 G HA3 0.641 4.601 3.960 -0.000 0.000 0.301 144 G C -1.338 173.653 174.900 0.152 0.000 1.154 144 G CA -0.420 44.743 45.100 0.105 0.000 0.852 144 G HN 0.607 nan 8.290 nan 0.000 0.511 145 L N 1.488 122.798 121.223 0.145 0.000 2.680 145 L HA 0.363 4.703 4.340 -0.000 0.000 0.260 145 L C -0.781 176.144 176.870 0.092 0.000 0.975 145 L CA -0.711 54.221 54.840 0.153 0.000 0.920 145 L CB 1.752 43.889 42.059 0.129 0.000 1.234 145 L HN 0.618 nan 8.230 nan 0.000 0.429 146 D N 3.442 123.886 120.400 0.074 0.000 2.414 146 D HA 0.504 5.144 4.640 -0.000 0.000 0.242 146 D C 0.321 176.614 176.300 -0.012 0.000 1.129 146 D CA 0.650 54.668 54.000 0.030 0.000 0.885 146 D CB 1.470 42.281 40.800 0.019 0.000 1.198 146 D HN 0.828 nan 8.370 nan 0.000 0.437 147 A N 3.657 126.465 122.820 -0.020 0.000 2.445 147 A HA 0.134 4.454 4.320 -0.000 0.000 0.242 147 A C 0.450 178.005 177.584 -0.049 0.000 1.075 147 A CA -0.317 51.693 52.037 -0.045 0.000 0.777 147 A CB 0.329 19.302 19.000 -0.044 0.000 1.013 147 A HN 0.589 nan 8.150 nan 0.000 0.493 148 K N 3.116 123.483 120.400 -0.056 0.000 2.142 148 K HA 0.062 4.382 4.320 -0.000 0.000 0.250 148 K C 0.089 176.686 176.600 -0.005 0.000 1.148 148 K CA -0.040 56.221 56.287 -0.044 0.000 1.040 148 K CB -0.204 32.274 32.500 -0.036 0.000 1.569 148 K HN 0.853 nan 8.250 nan 0.000 0.361 149 Q N 2.906 122.710 119.800 0.006 0.000 2.304 149 Q HA -0.129 4.211 4.340 -0.000 0.000 0.315 149 Q C -0.895 175.139 176.000 0.057 0.000 1.075 149 Q CA 1.064 56.886 55.803 0.032 0.000 0.988 149 Q CB 0.525 29.290 28.738 0.046 0.000 1.146 149 Q HN 0.689 nan 8.270 nan 0.000 0.383 150 Q N 2.610 122.447 119.800 0.061 0.000 2.575 150 Q HA 0.331 4.671 4.340 -0.000 0.000 0.290 150 Q C -1.948 174.107 176.000 0.091 0.000 0.963 150 Q CA -0.643 55.210 55.803 0.084 0.000 0.783 150 Q CB 1.817 30.614 28.738 0.099 0.000 1.467 150 Q HN 0.725 nan 8.270 nan 0.000 0.402 151 Q N 1.731 121.598 119.800 0.113 0.000 2.284 151 Q HA 0.592 4.932 4.340 -0.000 0.000 0.269 151 Q C -1.284 174.795 176.000 0.132 0.000 1.026 151 Q CA -0.398 55.497 55.803 0.153 0.000 0.831 151 Q CB 2.566 31.415 28.738 0.184 0.000 1.322 151 Q HN 0.529 nan 8.270 nan 0.000 0.419 152 I N 2.905 123.566 120.570 0.152 0.000 2.499 152 I HA 0.469 4.639 4.170 -0.000 0.000 0.288 152 I C -1.490 174.706 176.117 0.131 0.000 1.048 152 I CA -0.981 60.398 61.300 0.131 0.000 1.062 152 I CB 1.883 39.965 38.000 0.135 0.000 1.238 152 I HN 0.388 nan 8.210 nan 0.000 0.426 153 L N 8.712 129.969 121.223 0.057 0.000 2.410 153 L HA 0.782 5.122 4.340 -0.000 0.000 0.270 153 L C -1.580 175.210 176.870 -0.134 0.000 0.983 153 L CA -0.548 54.294 54.840 0.004 0.000 0.822 153 L CB 1.848 43.898 42.059 -0.015 0.000 1.285 153 L HN 0.518 nan 8.230 nan 0.000 0.409 154 L N 3.469 124.590 121.223 -0.169 0.000 2.588 154 L HA 0.705 5.045 4.340 -0.000 0.000 0.263 154 L C -1.729 174.988 176.870 -0.255 0.000 0.935 154 L CA -0.707 53.951 54.840 -0.303 0.000 0.891 154 L CB 1.644 43.590 42.059 -0.189 0.000 1.318 154 L HN 0.555 nan 8.230 nan 0.000 0.409 155 L N 2.340 123.363 121.223 -0.332 0.000 2.322 155 L HA 1.097 5.437 4.340 -0.000 0.000 0.279 155 L C 0.310 176.900 176.870 -0.467 0.000 1.036 155 L CA 0.657 55.403 54.840 -0.158 0.000 0.807 155 L CB 1.591 43.790 42.059 0.234 0.000 1.226 155 L HN 0.991 nan 8.230 nan 0.000 0.433 156 G N 1.724 110.083 108.800 -0.735 0.000 2.561 156 G HA2 0.237 4.197 3.960 -0.000 0.000 0.310 156 G HA3 0.237 4.197 3.960 -0.000 0.000 0.310 156 G C -0.529 173.875 174.900 -0.826 0.000 1.292 156 G CA 0.188 44.489 45.100 -1.331 0.000 0.811 156 G HN 0.728 nan 8.290 nan 0.000 0.482 157 C N -0.770 118.276 119.300 -0.423 0.000 2.513 157 C HA 0.467 4.927 4.460 -0.000 0.000 0.292 157 C C 1.258 176.225 174.990 -0.037 0.000 1.359 157 C CA 1.627 60.666 59.018 0.035 0.000 1.778 157 C CB -0.509 27.394 27.740 0.272 0.000 2.180 157 C HN 0.729 nan 8.230 nan 0.000 0.509 158 T N 2.970 117.366 114.554 -0.263 0.000 2.925 158 T HA 0.390 4.740 4.350 -0.000 0.000 0.285 158 T C -2.715 171.422 174.700 -0.938 0.000 1.021 158 T CA -0.761 60.995 62.100 -0.573 0.000 1.042 158 T CB 1.393 70.121 68.868 -0.234 0.000 1.037 158 T HN 0.192 nan 8.240 nan 0.000 0.481 159 P HA 0.174 nan 4.420 nan 0.000 0.265 159 P C -0.562 176.450 177.300 -0.479 0.000 1.187 159 P CA -0.251 62.232 63.100 -1.029 0.000 0.766 159 P CB 0.284 31.457 31.700 -0.877 0.000 0.820 160 A N 3.656 126.245 122.820 -0.385 0.000 2.445 160 A HA 0.115 4.435 4.320 -0.000 0.000 0.242 160 A C 0.399 177.791 177.584 -0.321 0.000 1.075 160 A CA -0.102 51.736 52.037 -0.331 0.000 0.777 160 A CB -0.221 18.571 19.000 -0.346 0.000 1.013 160 A HN 0.571 nan 8.150 nan 0.000 0.493 161 E N 0.237 120.240 120.200 -0.328 0.000 2.204 161 E HA 0.527 4.877 4.350 -0.000 0.000 0.276 161 E C 0.279 176.621 176.600 -0.429 0.000 0.974 161 E CA -0.285 55.897 56.400 -0.363 0.000 0.815 161 E CB 1.837 31.347 29.700 -0.316 0.000 1.119 161 E HN 0.800 nan 8.360 nan 0.000 0.393 162 G N 1.656 110.181 108.800 -0.459 0.000 2.600 162 G HA2 0.524 4.484 3.960 -0.000 0.000 0.303 162 G HA3 0.524 4.484 3.960 -0.000 0.000 0.303 162 G C -1.069 173.574 174.900 -0.427 0.000 1.253 162 G CA -0.629 44.196 45.100 -0.458 0.000 0.974 162 G HN 0.565 nan 8.290 nan 0.000 0.483 163 E N -0.996 119.010 120.200 -0.323 0.000 2.336 163 E HA 0.748 5.098 4.350 -0.000 0.000 0.267 163 E C -1.332 175.188 176.600 -0.133 0.000 0.906 163 E CA -1.113 55.132 56.400 -0.259 0.000 0.781 163 E CB 2.453 32.025 29.700 -0.214 0.000 1.261 163 E HN 0.823 nan 8.360 nan 0.000 0.436 164 Y N -2.245 117.817 120.300 -0.397 0.000 2.741 164 Y HA 0.538 5.088 4.550 -0.000 0.000 0.339 164 Y C -1.916 173.677 175.900 -0.511 0.000 1.226 164 Y CA -1.855 56.042 58.100 -0.339 0.000 1.072 164 Y CB 1.106 39.462 38.460 -0.174 0.000 1.331 164 Y HN 0.556 nan 8.280 nan 0.000 0.453 165 W N 1.750 123.029 121.300 -0.035 0.000 2.551 165 W HA 0.676 5.336 4.660 -0.000 0.000 0.330 165 W C -0.282 176.073 176.519 -0.274 0.000 1.063 165 W CA -0.245 57.018 57.345 -0.138 0.000 1.222 165 W CB 2.222 31.673 29.460 -0.015 0.000 1.349 165 W HN 0.751 nan 8.180 nan 0.000 0.536 166 T N -1.833 112.710 114.554 -0.018 0.000 2.696 166 T HA 0.588 4.938 4.350 -0.000 0.000 0.291 166 T C -0.659 174.051 174.700 0.017 0.000 1.095 166 T CA -0.980 61.064 62.100 -0.094 0.000 1.026 166 T CB 1.386 70.088 68.868 -0.277 0.000 1.390 166 T HN 0.108 nan 8.240 nan 0.000 0.513 167 T N 1.781 116.333 114.554 -0.004 0.000 2.744 167 T HA 0.681 5.031 4.350 -0.000 0.000 0.291 167 T C 0.224 174.928 174.700 0.007 0.000 0.957 167 T CA -0.421 61.686 62.100 0.012 0.000 1.002 167 T CB 0.608 69.480 68.868 0.007 0.000 0.919 167 T HN 0.970 nan 8.240 nan 0.000 0.468 168 A N 4.222 127.054 122.820 0.020 0.000 2.331 168 A HA 0.517 4.837 4.320 -0.000 0.000 0.283 168 A C 0.724 178.315 177.584 0.011 0.000 1.142 168 A CA -0.952 51.095 52.037 0.017 0.000 0.812 168 A CB 0.183 19.202 19.000 0.031 0.000 1.074 168 A HN 0.970 nan 8.150 nan 0.000 0.497 169 R N 2.149 122.654 120.500 0.008 0.000 2.523 169 R HA 0.149 4.489 4.340 -0.000 0.000 0.281 169 R C -2.538 173.766 176.300 0.006 0.000 0.969 169 R CA -0.484 55.620 56.100 0.006 0.000 1.093 169 R CB -0.781 29.522 30.300 0.006 0.000 0.917 169 R HN 0.335 nan 8.270 nan 0.000 0.408 170 P HA 0.135 nan 4.420 nan 0.000 0.276 170 P C -0.388 176.914 177.300 0.003 0.000 1.244 170 P CA -0.694 62.408 63.100 0.003 0.000 0.801 170 P CB 0.630 32.330 31.700 -0.000 0.000 1.006 171 C N 0.313 119.615 119.300 0.003 0.000 2.580 171 C HA 0.073 4.533 4.460 -0.000 0.000 0.371 171 C C 2.391 177.382 174.990 0.001 0.000 1.308 171 C CA -0.560 58.460 59.018 0.003 0.000 2.428 171 C CB -0.251 27.491 27.740 0.003 0.000 2.529 171 C HN 0.433 nan 8.230 nan 0.000 0.657 172 V N 0.904 120.819 119.914 0.002 0.000 2.407 172 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 172 V C 1.686 177.780 176.094 0.000 0.000 1.055 172 V CA 2.142 64.443 62.300 0.001 0.000 1.049 172 V CB -0.930 30.894 31.823 0.001 0.000 0.662 172 V HN 1.038 nan 8.190 nan 0.000 0.455 173 T N 1.325 115.880 114.554 0.001 0.000 2.819 173 T HA -0.133 4.217 4.350 -0.000 0.000 0.282 173 T C -0.105 174.594 174.700 -0.001 0.000 1.013 173 T CA 0.367 62.467 62.100 0.000 0.000 1.159 173 T CB -0.292 68.576 68.868 0.001 0.000 1.007 173 T HN 0.441 nan 8.240 nan 0.000 0.514 174 D N 4.386 124.785 120.400 -0.001 0.000 2.453 174 D HA 0.289 4.929 4.640 -0.000 0.000 0.238 174 D C 0.307 176.606 176.300 -0.002 0.000 1.088 174 D CA -0.636 53.363 54.000 -0.002 0.000 0.854 174 D CB 0.470 41.268 40.800 -0.002 0.000 1.076 174 D HN 0.495 nan 8.370 nan 0.000 0.533 175 R N 3.116 123.614 120.500 -0.003 0.000 2.569 175 R HA 0.237 4.577 4.340 -0.000 0.000 0.422 175 R C 0.245 176.542 176.300 -0.005 0.000 0.980 175 R CA -0.332 55.766 56.100 -0.004 0.000 1.164 175 R CB 0.187 30.485 30.300 -0.003 0.000 1.520 175 R HN 0.410 nan 8.270 nan 0.000 0.567 176 L N 1.153 122.372 121.223 -0.005 0.000 2.473 176 L HA 0.165 4.505 4.340 -0.000 0.000 0.268 176 L C 0.646 177.512 176.870 -0.007 0.000 1.215 176 L CA 0.686 55.522 54.840 -0.007 0.000 0.823 176 L CB 0.334 42.389 42.059 -0.006 0.000 1.099 176 L HN -0.018 nan 8.230 nan 0.000 0.483 177 E N 0.171 120.366 120.200 -0.009 0.000 2.459 177 E HA 0.247 4.597 4.350 -0.000 0.000 0.275 177 E C -0.144 176.449 176.600 -0.012 0.000 0.987 177 E CA -0.881 55.513 56.400 -0.010 0.000 0.828 177 E CB 1.191 30.885 29.700 -0.011 0.000 1.428 177 E HN 0.451 nan 8.360 nan 0.000 0.457 178 N N -0.025 118.667 118.700 -0.013 0.000 2.207 178 N HA -0.035 4.705 4.740 -0.000 0.000 0.182 178 N C 1.378 176.877 175.510 -0.018 0.000 1.020 178 N CA 1.188 54.230 53.050 -0.014 0.000 0.858 178 N CB -0.126 38.353 38.487 -0.014 0.000 0.991 178 N HN 0.554 nan 8.380 nan 0.000 0.427 179 G N -0.487 108.301 108.800 -0.020 0.000 3.141 179 G HA2 0.345 4.305 3.960 -0.000 0.000 0.218 179 G HA3 0.345 4.305 3.960 -0.000 0.000 0.218 179 G C 0.232 175.117 174.900 -0.026 0.000 1.170 179 G CA 0.060 45.145 45.100 -0.025 0.000 0.769 179 G HN 0.404 nan 8.290 nan 0.000 0.546 180 A N -0.172 122.635 122.820 -0.022 0.000 2.511 180 A HA 0.352 4.672 4.320 -0.000 0.000 0.242 180 A C 0.833 178.402 177.584 -0.025 0.000 1.069 180 A CA -0.257 51.767 52.037 -0.022 0.000 0.763 180 A CB -0.080 18.910 19.000 -0.017 0.000 1.001 180 A HN 0.463 nan 8.150 nan 0.000 0.498 181 C N 5.449 124.731 119.300 -0.030 0.000 2.653 181 C HA 0.464 4.924 4.460 -0.000 0.000 0.421 181 C C -1.434 173.538 174.990 -0.029 0.000 1.334 181 C CA -1.394 57.603 59.018 -0.035 0.000 1.885 181 C CB -0.529 27.185 27.740 -0.043 0.000 2.645 181 C HN 0.790 nan 8.230 nan 0.000 0.601 182 P HA 0.358 nan 4.420 nan 0.000 0.275 182 P C -2.642 174.645 177.300 -0.021 0.000 1.228 182 P CA -0.892 62.197 63.100 -0.019 0.000 0.786 182 P CB -0.038 31.654 31.700 -0.014 0.000 0.927 183 P HA 0.346 nan 4.420 nan 0.000 0.274 183 P C -0.468 176.834 177.300 0.004 0.000 1.246 183 P CA -0.139 62.956 63.100 -0.008 0.000 0.795 183 P CB 0.533 32.235 31.700 0.002 0.000 1.006 184 L N 0.477 121.706 121.223 0.009 0.000 2.309 184 L HA 0.679 5.019 4.340 -0.000 0.000 0.261 184 L C -0.025 176.946 176.870 0.168 0.000 1.021 184 L CA -0.571 54.307 54.840 0.063 0.000 0.823 184 L CB 2.157 44.194 42.059 -0.036 0.000 1.366 184 L HN 0.436 nan 8.230 nan 0.000 0.423 185 E N 1.117 121.525 120.200 0.346 0.000 2.380 185 E HA 0.333 4.683 4.350 -0.000 0.000 0.281 185 E C -2.008 174.766 176.600 0.291 0.000 0.999 185 E CA -0.798 55.826 56.400 0.373 0.000 0.800 185 E CB 2.381 32.167 29.700 0.143 0.000 1.228 185 E HN 0.416 nan 8.360 nan 0.000 0.436 186 L N 2.681 123.886 121.223 -0.030 0.000 2.395 186 L HA 0.510 4.850 4.340 -0.000 0.000 0.269 186 L C -0.953 175.760 176.870 -0.261 0.000 1.133 186 L CA 0.373 54.832 54.840 -0.635 0.000 0.812 186 L CB 0.563 42.179 42.059 -0.737 0.000 1.125 186 L HN 0.503 nan 8.230 nan 0.000 0.452 187 K N 2.970 123.272 120.400 -0.163 0.000 2.502 187 K HA 0.426 4.746 4.320 -0.000 0.000 0.257 187 K C -1.330 175.345 176.600 0.126 0.000 0.938 187 K CA -1.014 55.345 56.287 0.119 0.000 0.819 187 K CB 1.806 34.492 32.500 0.310 0.000 1.333 187 K HN 0.522 nan 8.250 nan 0.000 0.434 188 N N 1.484 120.142 118.700 -0.070 0.000 2.477 188 N HA 0.480 5.220 4.740 -0.000 0.000 0.284 188 N C -1.127 174.147 175.510 -0.392 0.000 1.182 188 N CA -0.505 52.383 53.050 -0.271 0.000 0.949 188 N CB 1.345 39.681 38.487 -0.251 0.000 1.204 188 N HN 0.453 nan 8.380 nan 0.000 0.526 189 K N -0.410 119.660 120.400 -0.549 0.000 2.642 189 K HA 0.284 4.604 4.320 -0.000 0.000 0.290 189 K C -1.473 174.719 176.600 -0.680 0.000 1.006 189 K CA -0.601 55.320 56.287 -0.611 0.000 0.869 189 K CB 0.675 32.822 32.500 -0.589 0.000 1.499 189 K HN 0.668 nan 8.250 nan 0.000 0.403 190 H N 0.764 119.578 119.070 -0.428 0.000 2.495 190 H HA 0.407 4.963 4.556 -0.000 0.000 0.350 190 H C -0.220 174.867 175.328 -0.401 0.000 1.202 190 H CA -0.512 55.275 56.048 -0.436 0.000 1.322 190 H CB 0.833 30.297 29.762 -0.496 0.000 1.544 190 H HN 0.254 nan 8.280 nan 0.000 0.565 191 I N 2.062 122.478 120.570 -0.257 0.000 2.312 191 I HA 0.122 4.292 4.170 -0.000 0.000 0.291 191 I C 0.296 176.318 176.117 -0.158 0.000 1.031 191 I CA -0.149 60.971 61.300 -0.299 0.000 1.293 191 I CB 0.556 38.276 38.000 -0.466 0.000 1.403 191 I HN 0.598 nan 8.210 nan 0.000 0.484 192 E N 3.931 124.117 120.200 -0.024 0.000 2.700 192 E HA 0.081 4.431 4.350 -0.000 0.000 0.253 192 E C 0.319 177.015 176.600 0.160 0.000 1.175 192 E CA -0.736 55.788 56.400 0.205 0.000 1.010 192 E CB 0.995 30.846 29.700 0.250 0.000 1.284 192 E HN 0.496 nan 8.360 nan 0.000 0.557 193 D N 0.049 120.609 120.400 0.266 0.000 2.149 193 D HA -0.049 4.591 4.640 -0.000 0.000 0.201 193 D C 0.650 177.018 176.300 0.114 0.000 0.972 193 D CA 0.773 54.883 54.000 0.182 0.000 0.835 193 D CB -0.086 40.855 40.800 0.234 0.000 0.966 193 D HN 0.478 nan 8.370 nan 0.000 0.476 194 G N 1.227 110.088 108.800 0.101 0.000 4.464 194 G HA2 0.217 4.177 3.960 -0.000 0.000 0.297 194 G HA3 0.217 4.177 3.960 -0.000 0.000 0.297 194 G C -0.558 174.387 174.900 0.076 0.000 1.342 194 G CA -0.506 44.638 45.100 0.073 0.000 1.335 194 G HN -0.009 nan 8.290 nan 0.000 0.609 195 D N 0.603 121.068 120.400 0.109 0.000 2.385 195 D HA 0.412 5.052 4.640 -0.000 0.000 0.254 195 D C 0.448 176.846 176.300 0.163 0.000 1.053 195 D CA -0.448 53.621 54.000 0.115 0.000 0.992 195 D CB 1.317 42.162 40.800 0.076 0.000 1.145 195 D HN -0.036 nan 8.370 nan 0.000 0.523 196 M N 0.926 120.603 119.600 0.128 0.000 2.233 196 M HA 0.267 4.747 4.480 -0.000 0.000 0.355 196 M C 0.122 176.528 176.300 0.178 0.000 1.191 196 M CA -0.718 54.633 55.300 0.084 0.000 1.101 196 M CB 1.284 33.891 32.600 0.013 0.000 1.592 196 M HN 0.377 nan 8.290 nan 0.000 0.461 197 M N 2.513 122.089 119.600 -0.039 0.000 2.202 197 M HA 0.116 4.596 4.480 -0.000 0.000 0.316 197 M C 0.191 176.510 176.300 0.031 0.000 1.138 197 M CA 0.290 55.514 55.300 -0.126 0.000 1.151 197 M CB 0.397 32.813 32.600 -0.306 0.000 1.422 197 M HN 0.498 nan 8.290 nan 0.000 0.471 198 E N 3.874 124.139 120.200 0.108 0.000 2.052 198 E HA 0.205 4.555 4.350 -0.000 0.000 0.283 198 E C -1.381 175.233 176.600 0.023 0.000 1.071 198 E CA -0.112 56.354 56.400 0.109 0.000 0.851 198 E CB -0.309 29.520 29.700 0.214 0.000 1.066 198 E HN 0.659 nan 8.360 nan 0.000 0.396 199 I N 2.891 123.424 120.570 -0.060 0.000 2.395 199 I HA 0.333 4.503 4.170 -0.000 0.000 0.282 199 I C 1.299 177.231 176.117 -0.308 0.000 1.107 199 I CA -0.465 60.737 61.300 -0.163 0.000 1.210 199 I CB 0.542 38.410 38.000 -0.220 0.000 1.456 199 I HN 0.685 nan 8.210 nan 0.000 0.504 200 G N 3.580 112.323 108.800 -0.095 0.000 2.322 200 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 200 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 200 G C 0.056 175.241 174.900 0.475 0.000 0.992 200 G CA 0.356 45.501 45.100 0.076 0.000 0.624 200 G HN 0.440 nan 8.290 nan 0.000 0.543 201 F N 0.887 120.916 119.950 0.132 0.000 2.556 201 F HA 0.743 5.270 4.527 -0.000 0.000 0.327 201 F C 1.083 177.006 175.800 0.205 0.000 1.059 201 F CA -1.797 56.286 58.000 0.139 0.000 0.953 201 F CB 0.424 39.491 39.000 0.112 0.000 1.227 201 F HN 0.269 nan 8.300 nan 0.000 0.478 202 G N 0.224 109.256 108.800 0.386 0.000 2.647 202 G HA2 0.363 4.323 3.960 -0.000 0.000 0.234 202 G HA3 0.363 4.323 3.960 -0.000 0.000 0.234 202 G C -0.490 174.693 174.900 0.473 0.000 1.252 202 G CA -0.104 45.196 45.100 0.334 0.000 0.846 202 G HN 0.898 nan 8.290 nan 0.000 0.589 203 A N 0.378 123.416 122.820 0.363 0.000 2.309 203 A HA 0.771 5.091 4.320 -0.000 0.000 0.290 203 A C 0.511 178.277 177.584 0.303 0.000 1.206 203 A CA 0.466 52.654 52.037 0.252 0.000 0.850 203 A CB 0.320 19.415 19.000 0.159 0.000 1.118 203 A HN 2.258 nan 8.150 nan 0.000 0.523 204 A N 2.973 125.835 122.820 0.070 0.000 2.597 204 A HA 0.566 4.886 4.320 -0.000 0.000 0.292 204 A C -0.911 176.585 177.584 -0.147 0.000 1.057 204 A CA -0.866 51.245 52.037 0.123 0.000 0.674 204 A CB 0.668 19.944 19.000 0.460 0.000 1.278 204 A HN 1.184 nan 8.150 nan 0.000 0.416 205 N N 1.386 120.086 118.700 -0.001 0.000 2.421 205 N HA 0.170 4.910 4.740 -0.000 0.000 0.260 205 N C -0.110 175.502 175.510 0.170 0.000 1.173 205 N CA -0.423 52.640 53.050 0.022 0.000 0.960 205 N CB -0.194 38.316 38.487 0.039 0.000 1.273 205 N HN 0.403 nan 8.380 nan 0.000 0.497 206 F N 1.446 121.444 119.950 0.081 0.000 2.333 206 F HA -0.029 4.498 4.527 -0.000 0.000 0.300 206 F C 1.720 177.546 175.800 0.043 0.000 1.083 206 F CA 0.338 58.378 58.000 0.067 0.000 1.395 206 F CB -0.399 38.655 39.000 0.090 0.000 1.056 206 F HN 0.412 nan 8.300 nan 0.000 0.529 207 K N 0.337 120.872 120.400 0.225 0.000 2.173 207 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 207 K C 1.229 177.887 176.600 0.096 0.000 1.046 207 K CA 1.889 58.257 56.287 0.135 0.000 0.929 207 K CB -0.322 32.235 32.500 0.096 0.000 0.720 207 K HN 0.408 nan 8.250 nan 0.000 0.453 208 E N -0.383 119.875 120.200 0.095 0.000 2.481 208 E HA 0.074 4.424 4.350 -0.000 0.000 0.198 208 E C 1.063 177.690 176.600 0.045 0.000 1.027 208 E CA -0.065 56.368 56.400 0.055 0.000 0.900 208 E CB 0.509 30.233 29.700 0.040 0.000 0.993 208 E HN 0.179 nan 8.360 nan 0.000 0.482 209 I N 0.543 121.154 120.570 0.068 0.000 3.883 209 I HA 0.025 4.195 4.170 -0.000 0.000 0.305 209 I C 0.653 176.735 176.117 -0.058 0.000 1.247 209 I CA 0.338 61.643 61.300 0.008 0.000 1.350 209 I CB -0.174 37.843 38.000 0.029 0.000 1.194 209 I HN -0.019 nan 8.210 nan 0.000 0.441 210 N N 2.199 120.877 118.700 -0.037 0.000 2.527 210 N HA 0.355 5.095 4.740 -0.000 0.000 0.236 210 N C 0.351 175.838 175.510 -0.038 0.000 0.999 210 N CA 0.064 53.066 53.050 -0.079 0.000 0.935 210 N CB 1.384 39.821 38.487 -0.084 0.000 1.132 210 N HN 0.113 nan 8.380 nan 0.000 0.511 211 A N 2.183 124.971 122.820 -0.054 0.000 2.308 211 A HA 0.181 4.501 4.320 -0.000 0.000 0.217 211 A C 1.341 178.895 177.584 -0.050 0.000 1.216 211 A CA 0.052 52.066 52.037 -0.037 0.000 0.864 211 A CB 0.184 19.163 19.000 -0.036 0.000 0.902 211 A HN 0.553 nan 8.150 nan 0.000 0.499 212 S N -0.461 115.193 115.700 -0.077 0.000 2.497 212 S HA 0.114 4.584 4.470 -0.000 0.000 0.221 212 S C 0.741 175.291 174.600 -0.084 0.000 1.037 212 S CA 0.266 58.411 58.200 -0.091 0.000 0.920 212 S CB 0.252 63.370 63.200 -0.136 0.000 0.800 212 S HN 0.456 nan 8.310 nan 0.000 0.505 213 K N 0.473 120.827 120.400 -0.078 0.000 3.553 213 K HA -0.136 4.184 4.320 -0.000 0.000 0.303 213 K C 0.791 177.322 176.600 -0.116 0.000 1.327 213 K CA 1.330 57.595 56.287 -0.037 0.000 0.983 213 K CB -2.542 29.966 32.500 0.014 0.000 1.275 213 K HN 0.622 nan 8.250 nan 0.000 0.453 214 S N -1.113 114.449 115.700 -0.229 0.000 2.578 214 S HA 0.186 4.656 4.470 -0.000 0.000 0.231 214 S C 0.613 174.816 174.600 -0.661 0.000 0.994 214 S CA -0.104 57.849 58.200 -0.411 0.000 0.956 214 S CB 0.565 63.575 63.200 -0.317 0.000 0.870 214 S HN 0.077 nan 8.310 nan 0.000 0.494 215 D N 1.510 121.627 120.400 -0.472 0.000 2.349 215 D HA 0.413 5.053 4.640 -0.000 0.000 0.214 215 D C 0.035 176.196 176.300 -0.232 0.000 1.063 215 D CA 0.264 53.948 54.000 -0.527 0.000 0.847 215 D CB 0.335 40.876 40.800 -0.433 0.000 0.933 215 D HN 0.430 nan 8.370 nan 0.000 0.513 216 L N -0.725 120.512 121.223 0.023 0.000 2.403 216 L HA 0.519 4.859 4.340 -0.000 0.000 0.253 216 L C -2.588 174.568 176.870 0.476 0.000 1.045 216 L CA -2.439 52.634 54.840 0.388 0.000 0.845 216 L CB 2.178 44.420 42.059 0.304 0.000 1.447 216 L HN -0.407 nan 8.230 nan 0.000 0.411 217 P HA 0.133 nan 4.420 nan 0.000 0.279 217 P C 0.290 177.853 177.300 0.439 0.000 1.239 217 P CA -0.457 62.876 63.100 0.388 0.000 0.789 217 P CB 0.951 32.780 31.700 0.215 0.000 0.933 218 L N 3.948 125.521 121.223 0.583 0.000 2.081 218 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 218 L C 1.558 178.728 176.870 0.500 0.000 1.080 218 L CA 2.231 57.418 54.840 0.578 0.000 0.754 218 L CB -1.142 41.117 42.059 0.334 0.000 0.893 218 L HN 0.389 nan 8.230 nan 0.000 0.433 219 D N -0.979 119.745 120.400 0.540 0.000 2.144 219 D HA -0.247 4.393 4.640 -0.000 0.000 0.199 219 D C 2.154 178.578 176.300 0.206 0.000 0.984 219 D CA 1.561 55.763 54.000 0.338 0.000 0.834 219 D CB -0.660 40.109 40.800 -0.052 0.000 0.955 219 D HN 0.392 nan 8.370 nan 0.000 0.465 220 I N 0.728 121.416 120.570 0.196 0.000 2.400 220 I HA -0.047 4.123 4.170 -0.000 0.000 0.248 220 I C 0.941 177.197 176.117 0.232 0.000 1.109 220 I CA 0.326 61.724 61.300 0.163 0.000 1.425 220 I CB -0.785 37.303 38.000 0.146 0.000 1.094 220 I HN 0.173 nan 8.210 nan 0.000 0.425 221 Q N 1.881 121.860 119.800 0.298 0.000 2.342 221 Q HA -0.270 4.070 4.340 -0.000 0.000 0.330 221 Q C 0.750 176.887 176.000 0.228 0.000 1.117 221 Q CA 1.319 57.303 55.803 0.300 0.000 1.010 221 Q CB 0.089 28.989 28.738 0.271 0.000 1.204 221 Q HN 0.523 nan 8.270 nan 0.000 0.400 222 N N 0.562 119.398 118.700 0.225 0.000 2.863 222 N HA -0.229 4.511 4.740 -0.000 0.000 0.245 222 N C -1.637 173.946 175.510 0.122 0.000 1.001 222 N CA 2.024 55.168 53.050 0.157 0.000 0.901 222 N CB -0.467 38.091 38.487 0.119 0.000 1.124 222 N HN 0.775 nan 8.380 nan 0.000 0.582 223 E N -0.220 120.046 120.200 0.110 0.000 2.336 223 E HA 0.492 4.842 4.350 -0.000 0.000 0.267 223 E C -0.265 176.300 176.600 -0.059 0.000 0.906 223 E CA -0.975 55.453 56.400 0.046 0.000 0.781 223 E CB 1.510 31.245 29.700 0.058 0.000 1.261 223 E HN 0.178 nan 8.360 nan 0.000 0.436 224 I N 1.333 121.870 120.570 -0.055 0.000 2.371 224 I HA 0.135 4.305 4.170 -0.000 0.000 0.290 224 I C -0.246 175.790 176.117 -0.135 0.000 1.028 224 I CA -0.564 60.668 61.300 -0.113 0.000 1.345 224 I CB 0.775 38.786 38.000 0.020 0.000 1.407 224 I HN 0.377 nan 8.210 nan 0.000 0.501 225 C N 7.784 126.927 119.300 -0.261 0.000 2.349 225 C HA 0.413 4.873 4.460 -0.000 0.000 0.348 225 C C 0.647 175.621 174.990 -0.027 0.000 1.223 225 C CA -0.399 58.535 59.018 -0.140 0.000 1.746 225 C CB -0.870 26.734 27.740 -0.227 0.000 2.360 225 C HN 0.609 nan 8.230 nan 0.000 0.533 226 L N 3.360 124.589 121.223 0.010 0.000 2.544 226 L HA 0.649 4.989 4.340 -0.000 0.000 0.256 226 L C -0.571 176.351 176.870 0.087 0.000 1.097 226 L CA -0.692 54.105 54.840 -0.072 0.000 0.812 226 L CB 1.144 43.028 42.059 -0.292 0.000 1.440 226 L HN 0.537 nan 8.230 nan 0.000 0.496 227 Y N -0.512 119.651 120.300 -0.228 0.000 2.656 227 Y HA 0.361 4.911 4.550 -0.000 0.000 0.334 227 Y C -2.648 173.029 175.900 -0.372 0.000 1.179 227 Y CA -2.033 55.954 58.100 -0.189 0.000 1.050 227 Y CB 2.067 40.469 38.460 -0.098 0.000 1.308 227 Y HN 0.199 nan 8.280 nan 0.000 0.456 228 P HA 0.160 nan 4.420 nan 0.000 0.287 228 P C -1.098 175.568 177.300 -1.057 0.000 1.307 228 P CA 0.063 62.451 63.100 -1.187 0.000 0.777 228 P CB 0.573 31.240 31.700 -1.723 0.000 0.883 229 D N 2.887 122.898 120.400 -0.648 0.000 2.688 229 D HA 0.016 4.656 4.640 -0.000 0.000 0.228 229 D C 0.639 176.726 176.300 -0.354 0.000 1.116 229 D CA -0.252 53.522 54.000 -0.376 0.000 1.023 229 D CB -0.480 40.156 40.800 -0.273 0.000 1.100 229 D HN 0.306 nan 8.370 nan 0.000 0.487 230 Y N 0.729 120.892 120.300 -0.229 0.000 2.181 230 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 230 Y C 2.267 178.084 175.900 -0.140 0.000 1.179 230 Y CA 0.741 58.688 58.100 -0.255 0.000 1.179 230 Y CB -0.122 38.186 38.460 -0.254 0.000 0.973 230 Y HN 0.292 nan 8.280 nan 0.000 0.519 231 L N -0.143 121.119 121.223 0.064 0.000 2.012 231 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 231 L C 2.518 179.387 176.870 -0.001 0.000 1.073 231 L CA 1.746 56.610 54.840 0.040 0.000 0.748 231 L CB -0.605 41.477 42.059 0.037 0.000 0.891 231 L HN 0.135 nan 8.230 nan 0.000 0.431 232 K N 0.153 120.523 120.400 -0.050 0.000 2.057 232 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 232 K C 2.131 178.697 176.600 -0.057 0.000 1.049 232 K CA 1.449 57.695 56.287 -0.067 0.000 0.931 232 K CB -0.075 32.354 32.500 -0.119 0.000 0.714 232 K HN 0.075 nan 8.250 nan 0.000 0.440 233 M N 0.016 119.569 119.600 -0.078 0.000 2.159 233 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 233 M C 2.150 178.454 176.300 0.007 0.000 1.063 233 M CA 1.740 57.005 55.300 -0.059 0.000 1.110 233 M CB -1.236 31.303 32.600 -0.102 0.000 1.374 233 M HN 0.255 nan 8.290 nan 0.000 0.411 234 A N -0.236 122.601 122.820 0.028 0.000 2.206 234 A HA -0.049 4.271 4.320 -0.000 0.000 0.211 234 A C 1.973 179.587 177.584 0.050 0.000 1.158 234 A CA 0.871 52.944 52.037 0.060 0.000 0.761 234 A CB -0.448 18.596 19.000 0.073 0.000 0.801 234 A HN 0.590 nan 8.150 nan 0.000 0.473 235 E N 0.152 120.370 120.200 0.030 0.000 2.251 235 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 235 E C -0.488 176.131 176.600 0.032 0.000 0.964 235 E CA -0.265 56.153 56.400 0.029 0.000 0.868 235 E CB 0.089 29.798 29.700 0.016 0.000 0.828 235 E HN 0.484 nan 8.360 nan 0.000 0.481 236 D N 1.373 121.790 120.400 0.027 0.000 2.487 236 D HA -0.027 4.613 4.640 -0.000 0.000 0.243 236 D C 0.856 177.193 176.300 0.062 0.000 1.154 236 D CA 0.244 54.265 54.000 0.036 0.000 0.876 236 D CB 1.394 42.211 40.800 0.029 0.000 1.161 236 D HN 0.101 nan 8.370 nan 0.000 0.478 237 A N 3.729 126.588 122.820 0.065 0.000 1.873 237 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 237 A C 2.160 179.814 177.584 0.118 0.000 1.193 237 A CA 2.335 54.424 52.037 0.087 0.000 0.629 237 A CB -0.721 18.329 19.000 0.084 0.000 0.826 237 A HN 0.668 nan 8.150 nan 0.000 0.447 238 A N -1.983 120.913 122.820 0.127 0.000 1.859 238 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 238 A C 2.500 180.196 177.584 0.187 0.000 1.209 238 A CA 2.822 54.966 52.037 0.179 0.000 0.639 238 A CB -1.365 17.738 19.000 0.171 0.000 0.835 238 A HN 2.207 nan 8.150 nan 0.000 0.450 239 G N -2.174 106.717 108.800 0.153 0.000 2.175 239 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 239 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 239 G C 0.619 175.638 174.900 0.198 0.000 0.982 239 G CA 0.910 46.108 45.100 0.164 0.000 0.641 239 G HN 0.459 nan 8.290 nan 0.000 0.527 240 N N 1.146 119.963 118.700 0.194 0.000 2.192 240 N HA -0.077 4.663 4.740 -0.000 0.000 0.188 240 N C 2.324 177.842 175.510 0.013 0.000 1.013 240 N CA 1.551 54.714 53.050 0.187 0.000 0.863 240 N CB -0.371 38.220 38.487 0.173 0.000 0.990 240 N HN 0.480 nan 8.380 nan 0.000 0.430 241 S N 0.314 116.004 115.700 -0.017 0.000 2.374 241 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 241 S C 0.941 175.447 174.600 -0.157 0.000 1.037 241 S CA 1.361 59.494 58.200 -0.111 0.000 1.024 241 S CB -0.204 62.941 63.200 -0.092 0.000 0.861 241 S HN 0.570 nan 8.310 nan 0.000 0.456 242 M N -2.006 117.555 119.600 -0.065 0.000 2.274 242 M HA 0.430 4.910 4.480 -0.000 0.000 0.272 242 M C -0.797 175.609 176.300 0.176 0.000 1.053 242 M CA -0.558 54.703 55.300 -0.065 0.000 0.978 242 M CB 0.919 33.495 32.600 -0.040 0.000 1.836 242 M HN -0.203 nan 8.290 nan 0.000 0.484 243 F N 2.426 122.466 119.950 0.150 0.000 2.146 243 F HA 0.250 4.777 4.527 -0.000 0.000 0.298 243 F C 0.743 176.755 175.800 0.354 0.000 1.096 243 F CA 0.839 58.988 58.000 0.249 0.000 1.275 243 F CB -0.370 38.826 39.000 0.328 0.000 1.008 243 F HN 0.735 nan 8.300 nan 0.000 0.480 244 F N -2.487 117.619 119.950 0.261 0.000 3.052 244 F HA 0.568 5.095 4.527 -0.000 0.000 0.323 244 F C -1.470 174.432 175.800 0.171 0.000 1.178 244 F CA -2.382 55.693 58.000 0.125 0.000 0.892 244 F CB 1.684 40.686 39.000 0.003 0.000 1.416 244 F HN -0.162 nan 8.300 nan 0.000 0.488 245 F N -0.269 119.388 119.950 -0.490 0.000 2.793 245 F HA 0.838 5.365 4.527 -0.000 0.000 0.316 245 F C -1.918 173.689 175.800 -0.321 0.000 1.147 245 F CA -0.994 56.664 58.000 -0.570 0.000 0.930 245 F CB 0.746 39.570 39.000 -0.292 0.000 1.277 245 F HN 1.150 nan 8.300 nan 0.000 0.443 246 A N 2.490 125.190 122.820 -0.199 0.000 2.475 246 A HA 0.989 5.309 4.320 -0.000 0.000 0.301 246 A C -1.284 176.332 177.584 0.054 0.000 1.059 246 A CA -0.837 51.077 52.037 -0.206 0.000 0.710 246 A CB 2.038 20.861 19.000 -0.295 0.000 1.288 246 A HN 1.331 nan 8.150 nan 0.000 0.408 247 R N 0.897 121.425 120.500 0.047 0.000 2.566 247 R HA 0.746 5.086 4.340 -0.000 0.000 0.271 247 R C -1.745 174.588 176.300 0.055 0.000 1.071 247 R CA -0.809 55.349 56.100 0.098 0.000 0.915 247 R CB 1.633 32.039 30.300 0.175 0.000 1.228 247 R HN 0.482 nan 8.270 nan 0.000 0.449 248 K N 2.187 122.627 120.400 0.066 0.000 2.565 248 K HA 0.226 4.546 4.320 -0.000 0.000 0.249 248 K C -1.633 175.019 176.600 0.086 0.000 0.958 248 K CA -0.685 55.639 56.287 0.062 0.000 0.806 248 K CB 2.320 34.846 32.500 0.044 0.000 1.194 248 K HN 0.836 nan 8.250 nan 0.000 0.434 249 E N 3.202 123.457 120.200 0.092 0.000 2.311 249 E HA 0.252 4.602 4.350 -0.000 0.000 0.281 249 E C -1.386 175.273 176.600 0.099 0.000 0.905 249 E CA -0.880 55.582 56.400 0.103 0.000 0.778 249 E CB 1.911 31.689 29.700 0.131 0.000 1.240 249 E HN 0.383 nan 8.360 nan 0.000 0.410 250 Q N 1.343 121.202 119.800 0.097 0.000 2.377 250 Q HA 0.767 5.107 4.340 -0.000 0.000 0.271 250 Q C -1.380 174.690 176.000 0.117 0.000 1.077 250 Q CA -1.103 54.767 55.803 0.112 0.000 0.820 250 Q CB 3.058 31.868 28.738 0.119 0.000 1.347 250 Q HN 0.467 nan 8.270 nan 0.000 0.444 251 V N 1.910 121.910 119.914 0.143 0.000 3.282 251 V HA 0.744 4.864 4.120 -0.000 0.000 0.295 251 V C -2.297 173.906 176.094 0.183 0.000 1.451 251 V CA -0.459 61.887 62.300 0.077 0.000 1.062 251 V CB 2.444 34.276 31.823 0.015 0.000 1.128 251 V HN 0.851 nan 8.190 nan 0.000 0.456 252 Y N 1.555 121.861 120.300 0.009 0.000 2.717 252 Y HA 0.677 5.227 4.550 -0.000 0.000 0.345 252 Y C -0.805 175.079 175.900 -0.027 0.000 1.187 252 Y CA -0.794 57.302 58.100 -0.006 0.000 1.128 252 Y CB 0.565 39.017 38.460 -0.013 0.000 1.360 252 Y HN 1.074 nan 8.280 nan 0.000 0.467 253 V N 0.646 120.591 119.914 0.051 0.000 2.843 253 V HA 0.490 4.610 4.120 -0.000 0.000 0.305 253 V C 0.661 176.730 176.094 -0.040 0.000 1.065 253 V CA 0.373 62.637 62.300 -0.061 0.000 1.116 253 V CB 1.455 33.263 31.823 -0.025 0.000 0.968 253 V HN 1.119 nan 8.190 nan 0.000 0.487 254 R N 0.830 121.209 120.500 -0.202 0.000 2.507 254 R HA 0.338 4.678 4.340 -0.000 0.000 0.230 254 R C 0.259 176.287 176.300 -0.454 0.000 0.897 254 R CA -0.137 55.815 56.100 -0.247 0.000 1.006 254 R CB 0.520 30.629 30.300 -0.318 0.000 1.341 254 R HN 0.957 nan 8.270 nan 0.000 0.604 255 H N -0.898 118.041 119.070 -0.218 0.000 2.990 255 H HA 0.416 4.972 4.556 -0.000 0.000 0.336 255 H C -1.194 173.833 175.328 -0.501 0.000 1.306 255 H CA -0.610 55.293 56.048 -0.241 0.000 1.118 255 H CB 1.717 31.378 29.762 -0.169 0.000 1.856 255 H HN -0.048 nan 8.280 nan 0.000 0.538 256 I N 1.233 121.651 120.570 -0.253 0.000 2.512 256 I HA 0.202 4.372 4.170 -0.000 0.000 0.287 256 I C -0.910 175.102 176.117 -0.175 0.000 1.069 256 I CA -0.608 60.482 61.300 -0.350 0.000 1.056 256 I CB 1.801 39.725 38.000 -0.127 0.000 1.229 256 I HN 0.158 nan 8.210 nan 0.000 0.429 257 W N 3.150 124.180 121.300 -0.449 0.000 2.958 257 W HA 0.696 5.356 4.660 -0.000 0.000 0.339 257 W C -0.116 176.189 176.519 -0.358 0.000 1.174 257 W CA -1.041 56.061 57.345 -0.404 0.000 1.064 257 W CB 1.181 30.403 29.460 -0.397 0.000 1.471 257 W HN 0.360 nan 8.180 nan 0.000 0.599 258 T N -0.454 114.200 114.554 0.166 0.000 2.881 258 T HA 0.541 4.891 4.350 -0.000 0.000 0.290 258 T C 0.005 174.809 174.700 0.174 0.000 1.000 258 T CA -0.951 61.205 62.100 0.094 0.000 0.978 258 T CB 2.154 71.041 68.868 0.030 0.000 0.997 258 T HN 0.102 nan 8.240 nan 0.000 0.443 259 R N 1.492 122.082 120.500 0.149 0.000 2.893 259 R HA 0.456 4.796 4.340 -0.000 0.000 0.279 259 R C 1.350 177.635 176.300 -0.024 0.000 1.076 259 R CA -0.055 56.072 56.100 0.046 0.000 1.203 259 R CB -0.199 30.074 30.300 -0.045 0.000 1.137 259 R HN 1.018 nan 8.270 nan 0.000 0.541 260 G N -0.790 107.968 108.800 -0.069 0.000 4.100 260 G HA2 0.256 4.216 3.960 -0.000 0.000 0.294 260 G HA3 0.256 4.216 3.960 -0.000 0.000 0.294 260 G C 0.244 175.099 174.900 -0.075 0.000 1.040 260 G CA 0.061 45.121 45.100 -0.066 0.000 0.829 260 G HN 0.602 nan 8.290 nan 0.000 0.505 261 G N 0.059 108.808 108.800 -0.085 0.000 2.425 261 G HA2 0.426 4.386 3.960 -0.000 0.000 0.302 261 G HA3 0.426 4.386 3.960 -0.000 0.000 0.302 261 G C 0.095 174.954 174.900 -0.069 0.000 1.159 261 G CA -0.136 44.915 45.100 -0.081 0.000 0.865 261 G HN 0.227 nan 8.290 nan 0.000 0.515 262 S N -0.214 115.450 115.700 -0.060 0.000 2.572 262 S HA 0.141 4.611 4.470 -0.000 0.000 0.279 262 S C 0.258 174.825 174.600 -0.054 0.000 1.341 262 S CA -0.156 58.013 58.200 -0.052 0.000 1.043 262 S CB 0.287 63.461 63.200 -0.044 0.000 0.887 262 S HN 0.501 nan 8.310 nan 0.000 0.516 263 E N 2.570 122.739 120.200 -0.051 0.000 2.175 263 E HA 0.246 4.596 4.350 -0.000 0.000 0.278 263 E C 0.087 176.664 176.600 -0.039 0.000 0.969 263 E CA -0.807 55.564 56.400 -0.049 0.000 0.796 263 E CB 1.022 30.691 29.700 -0.052 0.000 1.104 263 E HN 0.467 nan 8.360 nan 0.000 0.395 264 K N 1.771 122.149 120.400 -0.037 0.000 2.374 264 K HA 0.044 4.364 4.320 -0.000 0.000 0.196 264 K C -0.310 176.278 176.600 -0.021 0.000 1.023 264 K CA 0.402 56.673 56.287 -0.028 0.000 1.103 264 K CB 0.362 32.844 32.500 -0.030 0.000 0.848 264 K HN 0.616 nan 8.250 nan 0.000 0.528 265 E N -0.286 119.901 120.200 -0.022 0.000 2.466 265 E HA 0.511 4.861 4.350 -0.000 0.000 0.308 265 E C -1.286 175.309 176.600 -0.009 0.000 0.933 265 E CA -0.572 55.822 56.400 -0.010 0.000 0.800 265 E CB 1.198 30.892 29.700 -0.011 0.000 1.434 265 E HN -0.049 nan 8.360 nan 0.000 0.389 266 A N 3.765 126.587 122.820 0.003 0.000 2.269 266 A HA 0.779 5.099 4.320 -0.000 0.000 0.327 266 A C -2.189 175.427 177.584 0.054 0.000 1.112 266 A CA -1.520 50.520 52.037 0.005 0.000 0.865 266 A CB 0.191 19.182 19.000 -0.015 0.000 1.227 266 A HN 0.613 nan 8.150 nan 0.000 0.498 267 P HA 0.186 nan 4.420 nan 0.000 0.271 267 P C -0.104 177.343 177.300 0.245 0.000 1.226 267 P CA 0.185 63.400 63.100 0.193 0.000 0.765 267 P CB 0.256 32.062 31.700 0.177 0.000 0.835 268 T N 1.945 116.652 114.554 0.256 0.000 2.791 268 T HA 0.001 4.351 4.350 -0.000 0.000 0.323 268 T C 1.867 176.659 174.700 0.153 0.000 1.082 268 T CA 0.781 62.973 62.100 0.153 0.000 1.084 268 T CB -0.043 68.865 68.868 0.068 0.000 0.992 268 T HN 0.600 nan 8.240 nan 0.000 0.547 269 T N -0.626 113.982 114.554 0.090 0.000 2.996 269 T HA -0.165 4.185 4.350 -0.000 0.000 0.271 269 T C 1.358 176.039 174.700 -0.031 0.000 1.126 269 T CA 1.284 63.417 62.100 0.055 0.000 1.103 269 T CB -0.354 68.523 68.868 0.015 0.000 0.870 269 T HN 0.757 nan 8.240 nan 0.000 0.528 270 D N -0.336 119.996 120.400 -0.114 0.000 2.347 270 D HA -0.011 4.629 4.640 -0.000 0.000 0.215 270 D C 1.193 177.297 176.300 -0.327 0.000 0.976 270 D CA 0.277 54.120 54.000 -0.263 0.000 0.884 270 D CB -0.428 40.134 40.800 -0.397 0.000 0.915 270 D HN 0.493 nan 8.370 nan 0.000 0.526 271 F N -0.406 119.570 119.950 0.043 0.000 2.537 271 F HA 0.215 4.742 4.527 -0.000 0.000 0.277 271 F C 0.360 176.214 175.800 0.091 0.000 1.013 271 F CA -0.598 57.437 58.000 0.060 0.000 1.332 271 F CB -0.407 38.638 39.000 0.075 0.000 1.108 271 F HN -0.176 nan 8.300 nan 0.000 0.679 272 Y N 2.164 122.587 120.300 0.204 0.000 2.367 272 Y HA 0.547 5.097 4.550 -0.000 0.000 0.342 272 Y C -0.821 175.119 175.900 0.067 0.000 0.979 272 Y CA -1.997 56.173 58.100 0.116 0.000 1.161 272 Y CB 0.724 39.242 38.460 0.097 0.000 1.155 272 Y HN -0.042 nan 8.280 nan 0.000 0.503 273 L N 7.432 128.289 121.223 -0.610 0.000 2.260 273 L HA 0.378 4.718 4.340 -0.000 0.000 0.289 273 L C -0.054 176.261 176.870 -0.925 0.000 1.057 273 L CA -0.313 54.169 54.840 -0.598 0.000 0.811 273 L CB 0.328 42.240 42.059 -0.244 0.000 1.184 273 L HN 0.749 nan 8.230 nan 0.000 0.429 274 K N 4.279 124.213 120.400 -0.777 0.000 2.286 274 K HA 0.159 4.479 4.320 -0.000 0.000 0.256 274 K C -0.304 176.214 176.600 -0.137 0.000 0.999 274 K CA -0.148 55.905 56.287 -0.390 0.000 0.908 274 K CB 0.456 32.877 32.500 -0.131 0.000 0.981 274 K HN 0.939 nan 8.250 nan 0.000 0.500 275 N N 1.114 119.818 118.700 0.006 0.000 2.629 275 N HA 0.100 4.840 4.740 -0.000 0.000 0.279 275 N C -1.102 174.424 175.510 0.027 0.000 1.344 275 N CA -0.790 52.270 53.050 0.016 0.000 0.789 275 N CB 0.471 38.985 38.487 0.046 0.000 1.508 275 N HN 0.451 nan 8.380 nan 0.000 0.516 276 N N 0.742 119.453 118.700 0.019 0.000 2.412 276 N HA -0.090 4.650 4.740 -0.000 0.000 0.258 276 N C 0.558 176.084 175.510 0.026 0.000 1.236 276 N CA 0.770 53.830 53.050 0.018 0.000 0.882 276 N CB 0.259 38.753 38.487 0.012 0.000 1.066 276 N HN 0.797 nan 8.380 nan 0.000 0.465 277 K N -0.241 120.173 120.400 0.024 0.000 3.426 277 K HA -0.196 4.124 4.320 -0.000 0.000 0.315 277 K C 0.588 177.209 176.600 0.036 0.000 1.293 277 K CA 1.178 57.480 56.287 0.025 0.000 0.955 277 K CB -1.303 31.209 32.500 0.021 0.000 1.238 277 K HN 0.726 nan 8.250 nan 0.000 0.441 278 G N 0.123 108.953 108.800 0.051 0.000 2.508 278 G HA2 0.280 4.240 3.960 -0.000 0.000 0.278 278 G HA3 0.280 4.240 3.960 -0.000 0.000 0.278 278 G C -0.547 174.399 174.900 0.076 0.000 1.389 278 G CA -0.146 44.999 45.100 0.076 0.000 1.050 278 G HN 0.282 nan 8.290 nan 0.000 0.522 279 D N -0.838 119.621 120.400 0.099 0.000 2.248 279 D HA 0.463 5.103 4.640 -0.000 0.000 0.246 279 D C 1.203 177.581 176.300 0.130 0.000 1.027 279 D CA 0.011 54.059 54.000 0.079 0.000 0.853 279 D CB 1.925 42.748 40.800 0.038 0.000 1.243 279 D HN 0.326 nan 8.370 nan 0.000 0.462 280 A N 2.017 124.895 122.820 0.097 0.000 1.892 280 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 280 A C 1.073 178.753 177.584 0.160 0.000 1.188 280 A CA 1.410 53.516 52.037 0.114 0.000 0.631 280 A CB -0.266 18.773 19.000 0.065 0.000 0.822 280 A HN 0.522 nan 8.150 nan 0.000 0.447 281 T N -0.548 114.059 114.554 0.089 0.000 2.912 281 T HA 0.570 4.920 4.350 -0.000 0.000 0.288 281 T C -0.326 174.339 174.700 -0.059 0.000 1.030 281 T CA -0.552 61.577 62.100 0.049 0.000 1.020 281 T CB 1.471 70.354 68.868 0.025 0.000 1.056 281 T HN 0.227 nan 8.240 nan 0.000 0.480 282 L N 2.544 123.662 121.223 -0.175 0.000 2.380 282 L HA 0.322 4.662 4.340 -0.000 0.000 0.273 282 L C 1.291 178.079 176.870 -0.137 0.000 1.138 282 L CA 0.028 54.705 54.840 -0.273 0.000 0.832 282 L CB 0.768 42.594 42.059 -0.388 0.000 1.124 282 L HN 0.700 nan 8.230 nan 0.000 0.454 283 K N 2.599 122.930 120.400 -0.115 0.000 2.387 283 K HA 0.287 4.607 4.320 -0.000 0.000 0.197 283 K C 0.190 176.748 176.600 -0.069 0.000 1.127 283 K CA -0.129 56.114 56.287 -0.073 0.000 0.950 283 K CB 0.625 33.093 32.500 -0.053 0.000 1.017 283 K HN 0.360 nan 8.250 nan 0.000 0.519 284 I N 5.182 125.707 120.570 -0.074 0.000 2.533 284 I HA 0.062 4.232 4.170 -0.000 0.000 0.284 284 I C -2.066 174.010 176.117 -0.069 0.000 1.109 284 I CA -2.385 58.879 61.300 -0.061 0.000 1.412 284 I CB 0.192 38.163 38.000 -0.048 0.000 1.396 284 I HN -0.001 nan 8.210 nan 0.000 0.543 285 P HA -0.008 nan 4.420 nan 0.000 0.266 285 P C -0.338 176.890 177.300 -0.119 0.000 1.193 285 P CA -0.079 62.968 63.100 -0.089 0.000 0.770 285 P CB 0.481 32.128 31.700 -0.088 0.000 0.836 286 S N 1.032 116.646 115.700 -0.143 0.000 2.060 286 S HA 0.400 4.870 4.470 -0.000 0.000 0.156 286 S C -0.403 173.982 174.600 -0.358 0.000 1.690 286 S CA -0.684 57.386 58.200 -0.216 0.000 1.238 286 S CB -0.392 62.788 63.200 -0.033 0.000 1.150 286 S HN 0.177 nan 8.310 nan 0.000 0.437 287 V N 3.807 123.439 119.914 -0.470 0.000 2.409 287 V HA 0.451 4.571 4.120 -0.000 0.000 0.291 287 V C -0.615 175.172 176.094 -0.513 0.000 1.020 287 V CA -0.570 61.524 62.300 -0.343 0.000 0.848 287 V CB 1.096 32.841 31.823 -0.130 0.000 0.990 287 V HN 0.740 nan 8.190 nan 0.000 0.430 288 H N 5.859 124.940 119.070 0.019 0.000 2.697 288 H HA 0.338 4.894 4.556 -0.000 0.000 0.270 288 H C -0.584 174.707 175.328 -0.063 0.000 1.188 288 H CA -0.310 55.711 56.048 -0.046 0.000 1.322 288 H CB 0.814 30.539 29.762 -0.061 0.000 1.405 288 H HN 0.642 nan 8.280 nan 0.000 0.502 289 F N 0.240 120.190 119.950 0.000 0.000 2.422 289 F HA 0.722 5.249 4.527 -0.000 0.000 0.333 289 F C 0.449 176.185 175.800 -0.106 0.000 1.095 289 F CA -1.175 56.783 58.000 -0.071 0.000 1.038 289 F CB 1.079 39.981 39.000 -0.163 0.000 1.156 289 F HN 0.291 nan 8.300 nan 0.000 0.483 290 G N 0.980 109.654 108.800 -0.210 0.000 2.477 290 G HA2 0.485 4.445 3.960 -0.000 0.000 0.304 290 G HA3 0.485 4.445 3.960 -0.000 0.000 0.304 290 G C -1.180 173.577 174.900 -0.238 0.000 1.175 290 G CA -0.735 44.148 45.100 -0.362 0.000 0.907 290 G HN 0.996 nan 8.290 nan 0.000 0.509 291 S N 1.058 116.473 115.700 -0.474 0.000 2.437 291 S HA 0.682 5.152 4.470 -0.000 0.000 0.305 291 S C -2.784 171.701 174.600 -0.192 0.000 1.109 291 S CA -1.400 56.626 58.200 -0.291 0.000 1.099 291 S CB 2.441 65.241 63.200 -0.667 0.000 1.004 291 S HN 0.445 nan 8.310 nan 0.000 0.475 292 P HA 0.355 nan 4.420 nan 0.000 0.301 292 P C -0.858 176.291 177.300 -0.252 0.000 1.338 292 P CA -0.491 62.496 63.100 -0.188 0.000 0.834 292 P CB 1.435 33.091 31.700 -0.073 0.000 0.967 293 S N 1.623 117.023 115.700 -0.501 0.000 2.449 293 S HA 0.662 5.132 4.470 -0.000 0.000 0.310 293 S C 0.478 174.824 174.600 -0.423 0.000 1.096 293 S CA -0.784 57.172 58.200 -0.408 0.000 1.095 293 S CB 1.102 64.088 63.200 -0.356 0.000 1.007 293 S HN 0.489 nan 8.310 nan 0.000 0.474 294 G N 1.616 110.334 108.800 -0.136 0.000 2.491 294 G HA2 0.370 4.330 3.960 -0.000 0.000 0.242 294 G HA3 0.370 4.330 3.960 -0.000 0.000 0.242 294 G C 0.149 175.122 174.900 0.122 0.000 1.266 294 G CA -0.426 44.669 45.100 -0.009 0.000 0.844 294 G HN 0.894 nan 8.290 nan 0.000 0.571 295 S N 0.137 115.957 115.700 0.200 0.000 2.584 295 S HA 0.275 4.745 4.470 -0.000 0.000 0.270 295 S C 0.684 175.359 174.600 0.125 0.000 1.346 295 S CA -0.850 57.483 58.200 0.221 0.000 1.018 295 S CB 0.033 63.335 63.200 0.170 0.000 0.899 295 S HN 0.911 nan 8.310 nan 0.000 0.542 296 L N 3.508 124.790 121.223 0.099 0.000 2.525 296 L HA 0.470 4.810 4.340 -0.000 0.000 0.278 296 L C 0.240 177.146 176.870 0.061 0.000 1.218 296 L CA -0.003 54.879 54.840 0.069 0.000 0.878 296 L CB -0.661 41.428 42.059 0.051 0.000 1.127 296 L HN 0.316 nan 8.230 nan 0.000 0.492 297 V N 3.803 123.750 119.914 0.055 0.000 2.644 297 V HA 0.786 4.906 4.120 -0.000 0.000 0.295 297 V C 0.509 176.631 176.094 0.046 0.000 1.053 297 V CA 0.483 62.815 62.300 0.054 0.000 0.987 297 V CB 1.606 33.462 31.823 0.054 0.000 1.006 297 V HN 1.336 nan 8.190 nan 0.000 0.472 298 S N 2.780 118.508 115.700 0.046 0.000 2.751 298 S HA 0.432 4.902 4.470 -0.000 0.000 0.310 298 S C 0.776 175.400 174.600 0.041 0.000 1.128 298 S CA 0.088 58.311 58.200 0.038 0.000 0.931 298 S CB 1.527 64.746 63.200 0.033 0.000 1.177 298 S HN 0.942 nan 8.310 nan 0.000 0.530 299 T N -1.279 113.294 114.554 0.032 0.000 3.088 299 T HA 0.032 4.382 4.350 -0.000 0.000 0.259 299 T C 0.958 175.678 174.700 0.033 0.000 1.122 299 T CA 1.009 63.128 62.100 0.032 0.000 1.095 299 T CB -0.557 68.324 68.868 0.022 0.000 0.930 299 T HN 0.801 nan 8.240 nan 0.000 0.508 300 D N 0.295 120.714 120.400 0.031 0.000 2.431 300 D HA 0.003 4.643 4.640 -0.000 0.000 0.227 300 D C 1.741 178.061 176.300 0.033 0.000 1.030 300 D CA -0.075 53.941 54.000 0.027 0.000 0.897 300 D CB -0.462 40.350 40.800 0.020 0.000 1.058 300 D HN 0.156 nan 8.370 nan 0.000 0.500 301 N N 1.307 120.031 118.700 0.040 0.000 2.188 301 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 301 N C 0.586 176.130 175.510 0.057 0.000 1.018 301 N CA 0.429 53.505 53.050 0.045 0.000 0.858 301 N CB 0.100 38.617 38.487 0.049 0.000 0.989 301 N HN 0.526 nan 8.380 nan 0.000 0.426 302 Q N 1.614 121.465 119.800 0.086 0.000 2.300 302 Q HA 0.043 4.383 4.340 -0.000 0.000 0.280 302 Q C 0.342 176.396 176.000 0.090 0.000 1.033 302 Q CA 0.124 56.014 55.803 0.145 0.000 0.903 302 Q CB 0.051 28.916 28.738 0.212 0.000 1.195 302 Q HN 0.331 nan 8.270 nan 0.000 0.386 303 I N 0.318 120.856 120.570 -0.053 0.000 2.206 303 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 303 I C -1.331 174.332 176.117 -0.756 0.000 1.156 303 I CA -0.366 60.760 61.300 -0.290 0.000 1.356 303 I CB -0.690 37.130 38.000 -0.300 0.000 1.494 303 I HN 0.463 nan 8.210 nan 0.000 0.601 304 F N 2.171 122.152 119.950 0.051 0.000 2.741 304 F HA 0.351 4.878 4.527 -0.000 0.000 0.313 304 F C 0.706 176.472 175.800 -0.056 0.000 1.153 304 F CA -1.001 57.009 58.000 0.016 0.000 0.931 304 F CB 1.210 40.234 39.000 0.039 0.000 1.335 304 F HN 0.431 nan 8.300 nan 0.000 0.460 305 N N -0.709 118.084 118.700 0.156 0.000 2.863 305 N HA -0.234 4.506 4.740 -0.000 0.000 0.245 305 N C -0.670 174.781 175.510 -0.100 0.000 1.001 305 N CA 0.551 53.613 53.050 0.019 0.000 0.901 305 N CB -0.891 37.619 38.487 0.037 0.000 1.124 305 N HN 0.441 nan 8.380 nan 0.000 0.582 306 R N 1.434 121.803 120.500 -0.219 0.000 2.247 306 R HA 0.289 4.629 4.340 -0.000 0.000 0.329 306 R C -2.512 173.358 176.300 -0.716 0.000 1.014 306 R CA -1.625 54.233 56.100 -0.403 0.000 0.907 306 R CB 0.717 30.759 30.300 -0.430 0.000 1.146 306 R HN 0.055 nan 8.270 nan 0.000 0.499 307 P HA -0.148 nan 4.420 nan 0.000 0.261 307 P C -1.046 175.566 177.300 -1.147 0.000 1.183 307 P CA 0.558 63.156 63.100 -0.836 0.000 0.761 307 P CB 0.396 31.628 31.700 -0.781 0.000 0.785 308 Y N 2.154 122.020 120.300 -0.723 0.000 2.385 308 Y HA 0.233 4.783 4.550 -0.000 0.000 0.341 308 Y C 0.396 175.897 175.900 -0.666 0.000 0.965 308 Y CA -0.688 57.050 58.100 -0.603 0.000 1.180 308 Y CB 0.687 38.890 38.460 -0.428 0.000 1.139 308 Y HN 0.376 nan 8.280 nan 0.000 0.502 309 W N 6.113 127.439 121.300 0.043 0.000 2.358 309 W HA 0.362 5.022 4.660 -0.000 0.000 0.307 309 W C -0.652 175.822 176.519 -0.075 0.000 1.203 309 W CA -0.853 56.485 57.345 -0.013 0.000 1.279 309 W CB 0.631 30.223 29.460 0.220 0.000 1.264 309 W HN 0.295 nan 8.180 nan 0.000 0.474 310 L N 5.010 126.203 121.223 -0.051 0.000 2.268 310 L HA 0.311 4.651 4.340 -0.000 0.000 0.289 310 L C -0.313 176.452 176.870 -0.175 0.000 1.064 310 L CA 0.191 54.945 54.840 -0.143 0.000 0.824 310 L CB -0.094 41.836 42.059 -0.215 0.000 1.202 310 L HN 0.476 nan 8.230 nan 0.000 0.433 311 F N 3.396 123.353 119.950 0.013 0.000 2.622 311 F HA 0.371 4.898 4.527 -0.000 0.000 0.288 311 F C 0.719 176.516 175.800 -0.006 0.000 1.120 311 F CA -0.053 57.955 58.000 0.013 0.000 1.423 311 F CB 0.255 39.263 39.000 0.012 0.000 1.127 311 F HN 0.301 nan 8.300 nan 0.000 0.588 312 R N -0.006 120.584 120.500 0.150 0.000 2.515 312 R HA 0.575 4.915 4.340 -0.000 0.000 0.278 312 R C -0.500 175.844 176.300 0.074 0.000 1.107 312 R CA -0.538 55.611 56.100 0.082 0.000 0.945 312 R CB 1.170 31.521 30.300 0.085 0.000 1.219 312 R HN 0.020 nan 8.270 nan 0.000 0.434 313 A N 1.838 124.690 122.820 0.054 0.000 2.251 313 A HA 0.194 4.514 4.320 -0.000 0.000 0.278 313 A C 0.776 178.431 177.584 0.118 0.000 1.206 313 A CA -0.160 51.944 52.037 0.111 0.000 0.822 313 A CB 0.356 19.415 19.000 0.098 0.000 1.187 313 A HN 0.724 nan 8.150 nan 0.000 0.504 314 Q N -0.784 119.110 119.800 0.157 0.000 2.204 314 Q HA 0.440 4.780 4.340 -0.000 0.000 0.209 314 Q C 0.344 176.417 176.000 0.123 0.000 0.861 314 Q CA 0.204 56.087 55.803 0.133 0.000 0.971 314 Q CB 0.131 28.964 28.738 0.157 0.000 1.095 314 Q HN 0.777 nan 8.270 nan 0.000 0.486 315 G N 0.123 108.996 108.800 0.121 0.000 2.788 315 G HA2 0.429 4.389 3.960 -0.000 0.000 0.293 315 G HA3 0.429 4.389 3.960 -0.000 0.000 0.293 315 G C -0.480 174.479 174.900 0.099 0.000 1.392 315 G CA -0.910 44.261 45.100 0.120 0.000 0.810 315 G HN 0.064 nan 8.290 nan 0.000 0.508 316 M N 0.676 120.341 119.600 0.109 0.000 2.628 316 M HA 0.212 4.692 4.480 -0.000 0.000 0.232 316 M C 0.810 177.160 176.300 0.084 0.000 1.128 316 M CA -0.068 55.286 55.300 0.089 0.000 1.040 316 M CB -0.405 32.264 32.600 0.115 0.000 1.608 316 M HN 0.523 nan 8.290 nan 0.000 0.507 317 N N 1.254 120.012 118.700 0.097 0.000 2.800 317 N HA 0.123 4.863 4.740 -0.000 0.000 0.240 317 N C -0.705 174.754 175.510 -0.085 0.000 1.096 317 N CA -0.176 52.901 53.050 0.045 0.000 0.877 317 N CB 0.342 38.921 38.487 0.153 0.000 1.138 317 N HN 0.388 nan 8.380 nan 0.000 0.509 318 N N 2.568 121.185 118.700 -0.138 0.000 3.027 318 N HA 0.103 4.843 4.740 -0.000 0.000 0.309 318 N C 0.436 175.713 175.510 -0.389 0.000 1.222 318 N CA -0.227 52.708 53.050 -0.192 0.000 1.187 318 N CB 0.111 38.525 38.487 -0.121 0.000 1.458 318 N HN 0.568 nan 8.380 nan 0.000 0.535 319 G N 1.253 109.588 108.800 -0.775 0.000 2.289 319 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.280 319 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.280 319 G C -0.300 174.134 174.900 -0.777 0.000 1.089 319 G CA -0.525 43.822 45.100 -1.256 0.000 0.939 319 G HN 0.498 nan 8.290 nan 0.000 0.499 320 I N 0.856 121.019 120.570 -0.679 0.000 2.312 320 I HA 0.520 4.690 4.170 -0.000 0.000 0.290 320 I C 1.050 176.928 176.117 -0.399 0.000 1.008 320 I CA -1.068 59.864 61.300 -0.613 0.000 1.226 320 I CB 1.032 38.389 38.000 -1.072 0.000 1.371 320 I HN 0.453 nan 8.210 nan 0.000 0.468 321 A N 7.844 130.591 122.820 -0.122 0.000 2.981 321 A HA 0.113 4.433 4.320 -0.000 0.000 0.280 321 A C -0.112 177.583 177.584 0.186 0.000 1.743 321 A CA -0.450 51.665 52.037 0.130 0.000 1.430 321 A CB -0.790 18.337 19.000 0.212 0.000 1.085 321 A HN 0.721 nan 8.150 nan 0.000 0.597 322 W N 1.267 122.675 121.300 0.180 0.000 2.210 322 W HA 0.166 4.826 4.660 -0.000 0.000 0.330 322 W C 0.816 177.368 176.519 0.056 0.000 1.334 322 W CA -0.383 57.017 57.345 0.092 0.000 1.227 322 W CB 0.335 29.845 29.460 0.084 0.000 1.178 322 W HN 0.784 nan 8.180 nan 0.000 0.560 323 N N 1.786 120.635 118.700 0.248 0.000 2.850 323 N HA -0.284 4.456 4.740 -0.000 0.000 0.249 323 N C -0.538 175.068 175.510 0.161 0.000 1.060 323 N CA 1.444 54.566 53.050 0.119 0.000 0.825 323 N CB -1.867 36.713 38.487 0.155 0.000 1.132 323 N HN 0.755 nan 8.380 nan 0.000 0.564 324 N N -1.016 117.805 118.700 0.201 0.000 2.686 324 N HA -0.240 4.500 4.740 -0.000 0.000 0.261 324 N C -1.128 174.483 175.510 0.168 0.000 1.001 324 N CA 0.758 53.936 53.050 0.212 0.000 0.764 324 N CB -0.440 38.161 38.487 0.189 0.000 0.898 324 N HN 0.295 nan 8.380 nan 0.000 0.544 325 L N 0.680 122.004 121.223 0.169 0.000 2.506 325 L HA 0.643 4.983 4.340 -0.000 0.000 0.257 325 L C -1.299 175.635 176.870 0.108 0.000 0.964 325 L CA -0.548 54.356 54.840 0.106 0.000 0.836 325 L CB 2.090 44.245 42.059 0.159 0.000 1.384 325 L HN 0.098 nan 8.230 nan 0.000 0.410 326 L N 2.672 123.874 121.223 -0.035 0.000 2.371 326 L HA 0.581 4.921 4.340 -0.000 0.000 0.262 326 L C -1.571 175.189 176.870 -0.183 0.000 1.006 326 L CA -0.551 54.272 54.840 -0.029 0.000 0.818 326 L CB 2.443 44.426 42.059 -0.127 0.000 1.354 326 L HN 0.417 nan 8.230 nan 0.000 0.415 327 F N 2.643 122.478 119.950 -0.192 0.000 2.499 327 F HA 0.436 4.963 4.527 -0.000 0.000 0.333 327 F C -0.572 175.119 175.800 -0.181 0.000 1.138 327 F CA -0.455 57.400 58.000 -0.242 0.000 0.945 327 F CB 1.836 40.624 39.000 -0.353 0.000 1.181 327 F HN 0.075 nan 8.300 nan 0.000 0.435 328 L N 3.945 125.157 121.223 -0.017 0.000 2.294 328 L HA 0.552 4.892 4.340 -0.000 0.000 0.283 328 L C -0.311 176.503 176.870 -0.093 0.000 1.015 328 L CA -0.109 54.758 54.840 0.046 0.000 0.831 328 L CB 1.182 43.398 42.059 0.261 0.000 1.217 328 L HN 0.495 nan 8.230 nan 0.000 0.420 329 T N 4.609 119.098 114.554 -0.108 0.000 2.853 329 T HA 0.529 4.879 4.350 -0.000 0.000 0.317 329 T C -0.394 174.268 174.700 -0.064 0.000 1.059 329 T CA -0.335 61.678 62.100 -0.146 0.000 0.954 329 T CB 0.587 69.359 68.868 -0.159 0.000 0.994 329 T HN 0.254 nan 8.240 nan 0.000 0.479 330 V N 2.744 122.595 119.914 -0.105 0.000 2.444 330 V HA 0.849 4.969 4.120 -0.000 0.000 0.294 330 V C 0.413 176.518 176.094 0.018 0.000 1.022 330 V CA -0.672 61.654 62.300 0.044 0.000 0.850 330 V CB 1.845 33.758 31.823 0.151 0.000 0.992 330 V HN 0.957 nan 8.190 nan 0.000 0.426 331 G N 3.703 112.560 108.800 0.095 0.000 2.701 331 G HA2 0.773 4.733 3.960 -0.000 0.000 0.300 331 G HA3 0.773 4.733 3.960 -0.000 0.000 0.300 331 G C -1.735 173.202 174.900 0.061 0.000 1.410 331 G CA -0.418 44.668 45.100 -0.023 0.000 1.014 331 G HN 0.734 nan 8.290 nan 0.000 0.509 332 D N 0.925 121.351 120.400 0.044 0.000 2.886 332 D HA 0.075 4.715 4.640 -0.000 0.000 0.216 332 D C -0.458 175.853 176.300 0.019 0.000 1.256 332 D CA -0.742 53.307 54.000 0.081 0.000 0.844 332 D CB 1.532 42.470 40.800 0.229 0.000 1.669 332 D HN 0.367 nan 8.370 nan 0.000 0.513 333 N N 0.816 119.522 118.700 0.010 0.000 2.270 333 N HA -0.017 4.723 4.740 -0.000 0.000 0.198 333 N C 0.791 176.313 175.510 0.020 0.000 1.117 333 N CA -0.038 53.010 53.050 -0.004 0.000 0.845 333 N CB 0.213 38.683 38.487 -0.028 0.000 0.980 333 N HN 0.303 nan 8.380 nan 0.000 0.486 334 T N 1.055 115.634 114.554 0.041 0.000 2.668 334 T HA -0.029 4.321 4.350 -0.000 0.000 0.262 334 T C 1.747 176.458 174.700 0.018 0.000 1.045 334 T CA 0.971 63.099 62.100 0.047 0.000 1.152 334 T CB 0.087 69.008 68.868 0.089 0.000 0.864 334 T HN 0.133 nan 8.240 nan 0.000 0.419 335 R N 1.249 121.739 120.500 -0.017 0.000 2.083 335 R HA 0.034 4.374 4.340 -0.000 0.000 0.237 335 R C 1.713 177.988 176.300 -0.042 0.000 1.137 335 R CA 0.602 56.668 56.100 -0.056 0.000 0.951 335 R CB -1.469 28.747 30.300 -0.140 0.000 0.851 335 R HN 0.447 nan 8.270 nan 0.000 0.434 336 G N 0.750 109.548 108.800 -0.003 0.000 2.305 336 G HA2 0.151 4.111 3.960 -0.000 0.000 0.243 336 G HA3 0.151 4.111 3.960 -0.000 0.000 0.243 336 G C -0.678 174.270 174.900 0.079 0.000 1.288 336 G CA 0.276 45.420 45.100 0.074 0.000 0.901 336 G HN 0.122 nan 8.290 nan 0.000 0.516 337 T N 2.279 116.867 114.554 0.057 0.000 2.993 337 T HA 0.247 4.597 4.350 -0.000 0.000 0.312 337 T C 0.042 174.816 174.700 0.123 0.000 1.115 337 T CA -0.662 61.484 62.100 0.077 0.000 1.027 337 T CB 1.139 70.025 68.868 0.030 0.000 1.116 337 T HN 0.637 nan 8.240 nan 0.000 0.464 338 N N 1.243 120.056 118.700 0.189 0.000 2.467 338 N HA 0.489 5.229 4.740 -0.000 0.000 0.262 338 N C -1.035 174.586 175.510 0.186 0.000 1.234 338 N CA -0.745 52.450 53.050 0.241 0.000 0.952 338 N CB 0.677 39.329 38.487 0.276 0.000 1.158 338 N HN 0.192 nan 8.380 nan 0.000 0.463 339 L N 1.334 122.686 121.223 0.215 0.000 2.325 339 L HA 0.337 4.677 4.340 -0.000 0.000 0.281 339 L C -0.049 176.952 176.870 0.219 0.000 1.004 339 L CA -0.395 54.544 54.840 0.164 0.000 0.823 339 L CB 1.040 43.160 42.059 0.101 0.000 1.236 339 L HN 0.655 nan 8.230 nan 0.000 0.415 340 T N 3.097 117.734 114.554 0.139 0.000 2.902 340 T HA 0.826 5.176 4.350 -0.000 0.000 0.280 340 T C 0.146 174.913 174.700 0.111 0.000 0.992 340 T CA -0.576 61.581 62.100 0.095 0.000 1.015 340 T CB 1.272 70.158 68.868 0.030 0.000 1.044 340 T HN 0.491 nan 8.240 nan 0.000 0.520 341 I N 0.327 120.970 120.570 0.123 0.000 3.093 341 I HA 0.530 4.700 4.170 -0.000 0.000 0.308 341 I C -0.941 175.235 176.117 0.098 0.000 1.303 341 I CA -1.193 60.184 61.300 0.129 0.000 0.975 341 I CB 2.740 40.862 38.000 0.202 0.000 1.286 341 I HN 0.927 nan 8.210 nan 0.000 0.459 342 S N 1.874 117.618 115.700 0.073 0.000 2.609 342 S HA 0.615 5.085 4.470 -0.000 0.000 0.250 342 S C -1.131 173.492 174.600 0.039 0.000 1.112 342 S CA -0.668 57.571 58.200 0.064 0.000 1.102 342 S CB 0.839 64.104 63.200 0.108 0.000 1.124 342 S HN 0.299 nan 8.310 nan 0.000 0.460 343 V N 2.252 122.149 119.914 -0.028 0.000 2.532 343 V HA 0.856 4.976 4.120 -0.000 0.000 0.295 343 V C 0.955 177.050 176.094 0.003 0.000 1.041 343 V CA -0.658 61.638 62.300 -0.007 0.000 0.926 343 V CB 1.376 33.191 31.823 -0.014 0.000 0.992 343 V HN 1.137 nan 8.190 nan 0.000 0.457 344 A N 2.622 125.460 122.820 0.029 0.000 2.440 344 A HA 0.386 4.706 4.320 -0.000 0.000 0.251 344 A C 1.342 178.930 177.584 0.007 0.000 1.089 344 A CA 0.327 52.386 52.037 0.037 0.000 0.779 344 A CB 0.274 19.296 19.000 0.035 0.000 1.022 344 A HN 1.303 nan 8.150 nan 0.000 0.492 345 S N 0.571 116.267 115.700 -0.006 0.000 2.595 345 S HA -0.045 4.425 4.470 -0.000 0.000 0.235 345 S C 0.203 174.799 174.600 -0.007 0.000 0.974 345 S CA 1.438 59.624 58.200 -0.025 0.000 0.942 345 S CB -0.123 63.048 63.200 -0.048 0.000 0.766 345 S HN 0.689 nan 8.310 nan 0.000 0.536 346 D N -0.266 120.136 120.400 0.003 0.000 2.498 346 D HA 0.329 4.969 4.640 -0.000 0.000 0.223 346 D C 1.389 177.697 176.300 0.013 0.000 1.125 346 D CA 0.779 54.783 54.000 0.007 0.000 0.835 346 D CB 0.716 41.519 40.800 0.005 0.000 1.086 346 D HN 0.442 nan 8.370 nan 0.000 0.510 347 G N 0.119 108.930 108.800 0.018 0.000 2.194 347 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.236 347 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.236 347 G C 0.458 175.370 174.900 0.020 0.000 0.987 347 G CA 0.365 45.478 45.100 0.022 0.000 0.635 347 G HN 0.271 nan 8.290 nan 0.000 0.520 348 T N 3.562 118.127 114.554 0.018 0.000 2.807 348 T HA 0.607 4.957 4.350 -0.000 0.000 0.279 348 T C -2.201 172.511 174.700 0.019 0.000 0.993 348 T CA -0.737 61.373 62.100 0.017 0.000 0.970 348 T CB 2.587 71.463 68.868 0.014 0.000 0.950 348 T HN 0.220 nan 8.240 nan 0.000 0.441 349 P HA 0.042 nan 4.420 nan 0.000 0.263 349 P C -0.477 176.837 177.300 0.022 0.000 1.175 349 P CA -0.131 62.980 63.100 0.019 0.000 0.761 349 P CB 0.457 32.166 31.700 0.014 0.000 0.794 350 L N 2.839 124.079 121.223 0.029 0.000 2.462 350 L HA 0.048 4.388 4.340 -0.000 0.000 0.272 350 L C 1.802 178.693 176.870 0.035 0.000 1.166 350 L CA -0.047 54.815 54.840 0.036 0.000 0.880 350 L CB -0.371 41.721 42.059 0.054 0.000 1.142 350 L HN 0.392 nan 8.230 nan 0.000 0.473 351 T N 0.866 115.438 114.554 0.030 0.000 3.014 351 T HA -0.034 4.316 4.350 -0.000 0.000 0.263 351 T C 0.618 175.342 174.700 0.040 0.000 1.078 351 T CA 0.917 63.034 62.100 0.028 0.000 1.135 351 T CB 0.069 68.950 68.868 0.021 0.000 0.895 351 T HN 0.608 nan 8.240 nan 0.000 0.480 352 E N -0.523 119.707 120.200 0.050 0.000 2.359 352 E HA 0.404 4.754 4.350 -0.000 0.000 0.266 352 E C -1.804 174.863 176.600 0.112 0.000 0.920 352 E CA -0.995 55.448 56.400 0.073 0.000 0.788 352 E CB 1.297 31.027 29.700 0.049 0.000 1.279 352 E HN 0.164 nan 8.360 nan 0.000 0.438 353 Y N 2.541 122.853 120.300 0.020 0.000 2.454 353 Y HA 0.282 4.832 4.550 -0.000 0.000 0.345 353 Y C -1.086 174.866 175.900 0.086 0.000 0.970 353 Y CA -0.291 57.832 58.100 0.038 0.000 1.204 353 Y CB 0.438 38.902 38.460 0.007 0.000 1.122 353 Y HN 0.375 nan 8.280 nan 0.000 0.514 354 D N 2.420 122.557 120.400 -0.438 0.000 2.299 354 D HA 0.188 4.828 4.640 -0.000 0.000 0.243 354 D C 0.485 176.520 176.300 -0.442 0.000 0.982 354 D CA -0.211 53.578 54.000 -0.352 0.000 0.924 354 D CB 2.187 42.897 40.800 -0.151 0.000 1.238 354 D HN 0.606 nan 8.370 nan 0.000 0.484 355 S N -0.834 114.680 115.700 -0.311 0.000 2.527 355 S HA -0.090 4.380 4.470 -0.000 0.000 0.222 355 S C 1.603 175.966 174.600 -0.396 0.000 0.985 355 S CA 0.292 58.312 58.200 -0.300 0.000 0.921 355 S CB -0.022 63.084 63.200 -0.157 0.000 0.772 355 S HN 0.471 nan 8.310 nan 0.000 0.529 356 S N 1.310 116.844 115.700 -0.277 0.000 2.483 356 S HA 0.217 4.687 4.470 -0.000 0.000 0.221 356 S C 1.662 176.131 174.600 -0.219 0.000 1.030 356 S CA -0.358 57.697 58.200 -0.241 0.000 0.925 356 S CB -0.095 63.018 63.200 -0.145 0.000 0.795 356 S HN 0.143 nan 8.310 nan 0.000 0.511 357 K N 2.003 122.316 120.400 -0.145 0.000 2.057 357 K HA 0.072 4.391 4.320 -0.000 0.000 0.207 357 K C 0.603 177.211 176.600 0.014 0.000 1.049 357 K CA 0.665 56.929 56.287 -0.037 0.000 0.931 357 K CB -0.697 31.821 32.500 0.030 0.000 0.714 357 K HN 0.742 nan 8.250 nan 0.000 0.440 358 F N 1.354 121.234 119.950 -0.117 0.000 2.411 358 F HA 0.369 4.896 4.527 -0.000 0.000 0.355 358 F C -0.471 175.247 175.800 -0.137 0.000 1.117 358 F CA -1.206 56.733 58.000 -0.103 0.000 1.139 358 F CB 0.159 39.127 39.000 -0.053 0.000 1.120 358 F HN -0.188 nan 8.300 nan 0.000 0.493 359 N N 3.295 121.900 118.700 -0.159 0.000 2.419 359 N HA 0.356 5.096 4.740 -0.000 0.000 0.264 359 N C -1.126 174.170 175.510 -0.358 0.000 1.031 359 N CA -0.847 52.003 53.050 -0.333 0.000 0.951 359 N CB 1.981 40.196 38.487 -0.455 0.000 1.101 359 N HN 0.452 nan 8.380 nan 0.000 0.488 360 V N 3.589 123.362 119.914 -0.234 0.000 2.455 360 V HA 0.108 4.228 4.120 -0.000 0.000 0.273 360 V C -0.200 175.885 176.094 -0.014 0.000 1.045 360 V CA 0.034 62.282 62.300 -0.086 0.000 0.976 360 V CB -0.545 31.269 31.823 -0.016 0.000 0.993 360 V HN 0.608 nan 8.190 nan 0.000 0.475 361 Y N 3.241 123.581 120.300 0.068 0.000 2.568 361 Y HA 0.531 5.081 4.550 -0.000 0.000 0.327 361 Y C 0.258 176.266 175.900 0.180 0.000 1.163 361 Y CA -1.058 57.106 58.100 0.106 0.000 1.219 361 Y CB 2.026 40.543 38.460 0.096 0.000 1.308 361 Y HN 0.555 nan 8.280 nan 0.000 0.503 362 H N 2.038 121.296 119.070 0.313 0.000 3.172 362 H HA 0.376 4.932 4.556 -0.000 0.000 0.322 362 H C -1.226 174.232 175.328 0.217 0.000 1.003 362 H CA -1.007 55.200 56.048 0.265 0.000 1.466 362 H CB 0.515 30.479 29.762 0.336 0.000 1.673 362 H HN 0.461 nan 8.280 nan 0.000 0.512 363 R N 2.618 123.309 120.500 0.318 0.000 2.686 363 R HA 0.278 4.618 4.340 -0.000 0.000 0.283 363 R C -1.270 175.143 176.300 0.187 0.000 0.978 363 R CA -0.834 55.376 56.100 0.183 0.000 0.897 363 R CB 1.824 32.203 30.300 0.131 0.000 1.192 363 R HN 0.743 nan 8.270 nan 0.000 0.457 364 H N 1.245 120.319 119.070 0.006 0.000 2.895 364 H HA 0.711 5.267 4.556 -0.000 0.000 0.373 364 H C -1.231 174.090 175.328 -0.012 0.000 1.174 364 H CA -0.699 55.339 56.048 -0.017 0.000 1.144 364 H CB 1.717 31.427 29.762 -0.086 0.000 1.793 364 H HN 0.452 nan 8.280 nan 0.000 0.551 365 M N 3.154 122.519 119.600 -0.391 0.000 2.324 365 M HA 0.354 4.834 4.480 -0.000 0.000 0.288 365 M C -1.490 174.670 176.300 -0.233 0.000 1.097 365 M CA -0.776 54.433 55.300 -0.152 0.000 0.928 365 M CB 2.660 35.211 32.600 -0.080 0.000 1.648 365 M HN 0.456 nan 8.290 nan 0.000 0.460 366 E N 2.199 122.383 120.200 -0.026 0.000 2.199 366 E HA 0.483 4.833 4.350 -0.000 0.000 0.269 366 E C -1.428 175.134 176.600 -0.063 0.000 0.899 366 E CA -0.517 55.848 56.400 -0.059 0.000 0.772 366 E CB 2.966 32.743 29.700 0.128 0.000 1.155 366 E HN 0.711 nan 8.360 nan 0.000 0.408 367 E N 2.641 122.659 120.200 -0.304 0.000 2.234 367 E HA 0.424 4.774 4.350 -0.000 0.000 0.266 367 E C -1.375 174.908 176.600 -0.529 0.000 0.877 367 E CA -0.428 55.828 56.400 -0.240 0.000 0.758 367 E CB 1.026 30.647 29.700 -0.131 0.000 1.170 367 E HN 0.339 nan 8.360 nan 0.000 0.415 368 Y N 1.950 122.223 120.300 -0.046 0.000 2.659 368 Y HA 0.576 5.126 4.550 -0.000 0.000 0.333 368 Y C -0.125 175.680 175.900 -0.160 0.000 1.064 368 Y CA -0.973 57.061 58.100 -0.110 0.000 1.141 368 Y CB 1.916 40.315 38.460 -0.102 0.000 1.316 368 Y HN 0.433 nan 8.280 nan 0.000 0.509 369 K N 0.853 121.258 120.400 0.008 0.000 2.546 369 K HA 0.690 5.010 4.320 -0.000 0.000 0.264 369 K C -2.374 174.158 176.600 -0.113 0.000 0.937 369 K CA -0.538 55.705 56.287 -0.073 0.000 0.833 369 K CB 1.803 34.282 32.500 -0.035 0.000 1.378 369 K HN 0.697 nan 8.250 nan 0.000 0.432 370 L N 2.142 123.276 121.223 -0.148 0.000 2.410 370 L HA 0.791 5.131 4.340 -0.000 0.000 0.270 370 L C -1.018 175.744 176.870 -0.179 0.000 0.983 370 L CA -0.987 53.750 54.840 -0.173 0.000 0.822 370 L CB 2.145 44.157 42.059 -0.078 0.000 1.285 370 L HN 0.798 nan 8.230 nan 0.000 0.409 371 A N 2.999 125.552 122.820 -0.445 0.000 2.381 371 A HA 0.883 5.203 4.320 -0.000 0.000 0.299 371 A C -1.477 175.672 177.584 -0.724 0.000 1.049 371 A CA -0.293 51.508 52.037 -0.394 0.000 0.715 371 A CB 0.978 19.869 19.000 -0.182 0.000 1.222 371 A HN 0.459 nan 8.150 nan 0.000 0.428 372 F N 1.862 121.619 119.950 -0.323 0.000 2.563 372 F HA 0.607 5.134 4.527 -0.000 0.000 0.316 372 F C 0.108 175.745 175.800 -0.272 0.000 1.076 372 F CA -1.059 56.802 58.000 -0.232 0.000 0.921 372 F CB 1.940 40.815 39.000 -0.208 0.000 1.209 372 F HN 0.278 nan 8.300 nan 0.000 0.462 373 I N 4.691 125.308 120.570 0.080 0.000 2.503 373 I HA 0.276 4.446 4.170 -0.000 0.000 0.277 373 I C -0.521 175.631 176.117 0.059 0.000 1.078 373 I CA -0.236 61.108 61.300 0.073 0.000 1.184 373 I CB 0.172 38.327 38.000 0.257 0.000 1.353 373 I HN 0.420 nan 8.210 nan 0.000 0.490 374 L N 5.151 126.328 121.223 -0.077 0.000 2.421 374 L HA 0.505 4.845 4.340 -0.000 0.000 0.263 374 L C 0.567 177.364 176.870 -0.121 0.000 1.122 374 L CA -0.543 54.198 54.840 -0.166 0.000 0.804 374 L CB 0.773 42.500 42.059 -0.554 0.000 1.150 374 L HN 0.525 nan 8.230 nan 0.000 0.457 375 E N 0.987 121.145 120.200 -0.070 0.000 2.369 375 E HA 0.568 4.918 4.350 -0.000 0.000 0.270 375 E C -1.459 175.239 176.600 0.162 0.000 0.909 375 E CA -1.046 55.259 56.400 -0.159 0.000 0.775 375 E CB 2.167 31.529 29.700 -0.564 0.000 1.270 375 E HN 0.248 nan 8.360 nan 0.000 0.445 376 L N 1.670 122.961 121.223 0.114 0.000 2.371 376 L HA 0.459 4.799 4.340 -0.000 0.000 0.272 376 L C -0.980 175.835 176.870 -0.092 0.000 1.124 376 L CA -0.127 54.721 54.840 0.014 0.000 0.816 376 L CB 0.795 42.856 42.059 0.002 0.000 1.129 376 L HN 0.883 nan 8.230 nan 0.000 0.448 377 C N 1.301 120.509 119.300 -0.153 0.000 2.716 377 C HA 0.669 5.129 4.460 -0.000 0.000 0.366 377 C C -0.206 174.687 174.990 -0.163 0.000 1.073 377 C CA -1.010 57.929 59.018 -0.131 0.000 1.260 377 C CB 0.263 27.934 27.740 -0.116 0.000 1.755 377 C HN 0.859 nan 8.230 nan 0.000 0.475 378 S N 1.953 117.562 115.700 -0.152 0.000 2.452 378 S HA 0.633 5.103 4.470 -0.000 0.000 0.284 378 S C -0.019 174.499 174.600 -0.136 0.000 1.171 378 S CA -0.418 57.647 58.200 -0.224 0.000 1.064 378 S CB 0.911 63.972 63.200 -0.231 0.000 0.967 378 S HN 2.111 nan 8.310 nan 0.000 0.484 379 V N 1.042 120.875 119.914 -0.135 0.000 2.509 379 V HA 0.524 4.644 4.120 -0.000 0.000 0.284 379 V C 0.062 176.093 176.094 -0.106 0.000 1.047 379 V CA -0.741 61.564 62.300 0.007 0.000 0.952 379 V CB 0.510 32.430 31.823 0.161 0.000 0.988 379 V HN 0.910 nan 8.190 nan 0.000 0.469 380 E N 4.070 124.256 120.200 -0.023 0.000 2.392 380 E HA 0.364 4.714 4.350 -0.000 0.000 0.259 380 E C -0.613 175.943 176.600 -0.073 0.000 1.108 380 E CA -0.477 55.894 56.400 -0.049 0.000 0.916 380 E CB 1.085 30.787 29.700 0.005 0.000 0.989 380 E HN 0.615 nan 8.360 nan 0.000 0.432 381 I N 2.717 123.238 120.570 -0.083 0.000 2.833 381 I HA 0.138 4.308 4.170 -0.000 0.000 0.286 381 I C -0.360 175.732 176.117 -0.041 0.000 1.287 381 I CA -0.130 61.120 61.300 -0.084 0.000 1.046 381 I CB 0.184 38.107 38.000 -0.128 0.000 1.612 381 I HN 0.323 nan 8.210 nan 0.000 0.585 382 T N 2.008 116.551 114.554 -0.020 0.000 2.928 382 T HA 0.461 4.811 4.350 -0.000 0.000 0.284 382 T C 1.604 176.303 174.700 -0.001 0.000 1.008 382 T CA -0.030 62.067 62.100 -0.005 0.000 1.057 382 T CB 2.313 71.186 68.868 0.008 0.000 1.018 382 T HN 0.528 nan 8.240 nan 0.000 0.493 383 A N 1.783 124.604 122.820 0.002 0.000 1.915 383 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 383 A C 2.241 179.832 177.584 0.012 0.000 1.198 383 A CA 2.501 54.541 52.037 0.005 0.000 0.647 383 A CB -0.984 18.020 19.000 0.006 0.000 0.825 383 A HN 0.942 nan 8.150 nan 0.000 0.456 384 Q N -0.575 119.236 119.800 0.019 0.000 2.020 384 Q HA -0.195 4.144 4.340 -0.000 0.000 0.202 384 Q C 2.154 178.183 176.000 0.047 0.000 0.982 384 Q CA 2.980 58.803 55.803 0.033 0.000 0.838 384 Q CB -0.514 28.244 28.738 0.033 0.000 0.899 384 Q HN 0.761 nan 8.270 nan 0.000 0.423 385 T N -1.789 112.783 114.554 0.030 0.000 2.777 385 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 385 T C 1.933 176.620 174.700 -0.021 0.000 1.040 385 T CA 1.268 63.370 62.100 0.004 0.000 1.141 385 T CB -0.770 68.093 68.868 -0.008 0.000 0.868 385 T HN 0.145 nan 8.240 nan 0.000 0.444 386 V N 2.198 122.103 119.914 -0.015 0.000 2.231 386 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 386 V C 3.105 179.189 176.094 -0.016 0.000 1.054 386 V CA 2.297 64.590 62.300 -0.012 0.000 1.015 386 V CB -1.447 30.376 31.823 -0.000 0.000 0.638 386 V HN 0.737 nan 8.190 nan 0.000 0.444 387 S N -0.234 115.467 115.700 0.001 0.000 2.377 387 S HA -0.427 4.043 4.470 -0.000 0.000 0.224 387 S C 2.064 176.652 174.600 -0.021 0.000 1.042 387 S CA 2.633 60.830 58.200 -0.005 0.000 1.086 387 S CB -0.770 62.441 63.200 0.017 0.000 0.995 387 S HN 0.818 nan 8.310 nan 0.000 0.428 388 H N 1.174 120.208 119.070 -0.060 0.000 2.337 388 H HA -0.165 4.391 4.556 -0.000 0.000 0.288 388 H C 1.829 177.099 175.328 -0.097 0.000 1.117 388 H CA 2.466 58.478 56.048 -0.060 0.000 1.205 388 H CB -0.779 28.952 29.762 -0.052 0.000 1.353 388 H HN 0.473 nan 8.280 nan 0.000 0.480 389 L N 0.173 121.227 121.223 -0.281 0.000 2.353 389 L HA -0.180 4.160 4.340 -0.000 0.000 0.220 389 L C 2.563 179.248 176.870 -0.309 0.000 1.133 389 L CA 0.760 55.384 54.840 -0.359 0.000 0.798 389 L CB -0.394 41.475 42.059 -0.317 0.000 0.922 389 L HN 0.381 nan 8.230 nan 0.000 0.445 390 Q N -0.010 119.654 119.800 -0.227 0.000 2.112 390 Q HA -0.183 4.157 4.340 -0.000 0.000 0.206 390 Q C 2.274 178.167 176.000 -0.179 0.000 0.987 390 Q CA 1.966 57.666 55.803 -0.172 0.000 0.858 390 Q CB -0.588 28.081 28.738 -0.116 0.000 0.905 390 Q HN 0.580 nan 8.270 nan 0.000 0.420 391 G N -0.056 108.617 108.800 -0.212 0.000 2.603 391 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.214 391 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.214 391 G C 1.443 176.231 174.900 -0.186 0.000 1.140 391 G CA 0.197 45.193 45.100 -0.175 0.000 0.800 391 G HN 0.266 nan 8.290 nan 0.000 0.533 392 L N 0.675 121.731 121.223 -0.279 0.000 2.027 392 L HA 0.389 4.729 4.340 -0.000 0.000 0.206 392 L C 1.066 177.838 176.870 -0.164 0.000 1.074 392 L CA 1.475 56.198 54.840 -0.195 0.000 0.745 392 L CB -0.141 41.787 42.059 -0.219 0.000 0.898 392 L HN 0.364 nan 8.230 nan 0.000 0.433 393 M N -3.635 115.826 119.600 -0.231 0.000 2.365 393 M HA 0.383 4.863 4.480 -0.000 0.000 0.288 393 M C -2.425 173.743 176.300 -0.219 0.000 1.152 393 M CA -1.341 53.833 55.300 -0.211 0.000 0.948 393 M CB 1.487 33.932 32.600 -0.258 0.000 1.729 393 M HN -0.360 nan 8.290 nan 0.000 0.487 394 P HA -0.076 nan 4.420 nan 0.000 0.217 394 P C 1.087 178.285 177.300 -0.171 0.000 1.151 394 P CA 1.926 64.937 63.100 -0.149 0.000 0.828 394 P CB 0.102 31.735 31.700 -0.110 0.000 0.788 395 S N -0.113 115.481 115.700 -0.177 0.000 2.377 395 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 395 S C 2.180 176.623 174.600 -0.261 0.000 1.030 395 S CA 0.714 58.809 58.200 -0.175 0.000 0.970 395 S CB -1.747 61.380 63.200 -0.122 0.000 0.830 395 S HN 0.008 nan 8.310 nan 0.000 0.473 396 V N 2.215 121.905 119.914 -0.373 0.000 2.867 396 V HA -0.003 4.117 4.120 -0.000 0.000 0.260 396 V C 1.984 177.572 176.094 -0.844 0.000 1.099 396 V CA 1.171 63.095 62.300 -0.627 0.000 1.122 396 V CB -0.799 30.557 31.823 -0.778 0.000 0.708 396 V HN 0.544 nan 8.190 nan 0.000 0.490 397 L N -0.098 120.807 121.223 -0.531 0.000 2.083 397 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 397 L C 2.543 179.292 176.870 -0.202 0.000 1.083 397 L CA 2.217 56.850 54.840 -0.346 0.000 0.752 397 L CB -0.673 41.276 42.059 -0.183 0.000 0.899 397 L HN 0.448 nan 8.230 nan 0.000 0.433 398 E N 0.586 120.670 120.200 -0.195 0.000 2.110 398 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 398 E C 1.852 178.412 176.600 -0.067 0.000 0.988 398 E CA 1.364 57.705 56.400 -0.099 0.000 0.804 398 E CB 0.129 29.772 29.700 -0.095 0.000 0.745 398 E HN 0.464 nan 8.360 nan 0.000 0.458 399 N N 0.295 118.890 118.700 -0.175 0.000 2.120 399 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 399 N C 1.385 177.040 175.510 0.241 0.000 1.024 399 N CA 1.304 54.308 53.050 -0.077 0.000 0.852 399 N CB -0.628 37.678 38.487 -0.301 0.000 1.003 399 N HN 0.419 nan 8.380 nan 0.000 0.424 400 W N 1.057 122.342 121.300 -0.026 0.000 2.363 400 W HA -0.112 4.548 4.660 -0.000 0.000 0.296 400 W C 0.464 176.971 176.519 -0.020 0.000 1.212 400 W CA 0.057 57.385 57.345 -0.028 0.000 1.260 400 W CB 0.155 29.582 29.460 -0.055 0.000 1.131 400 W HN 0.041 nan 8.180 nan 0.000 0.530 401 E N -1.135 119.200 120.200 0.224 0.000 3.763 401 E HA -0.267 4.083 4.350 -0.000 0.000 0.319 401 E C 0.839 177.496 176.600 0.094 0.000 0.804 401 E CA 1.408 57.879 56.400 0.119 0.000 1.196 401 E CB -2.359 27.403 29.700 0.105 0.000 1.607 401 E HN 0.633 nan 8.360 nan 0.000 0.431 402 I N -1.730 118.913 120.570 0.123 0.000 2.286 402 I HA -0.020 4.150 4.170 -0.000 0.000 0.248 402 I C 1.412 177.553 176.117 0.041 0.000 1.115 402 I CA 1.549 62.895 61.300 0.077 0.000 1.392 402 I CB -0.529 37.526 38.000 0.092 0.000 1.065 402 I HN 0.055 nan 8.210 nan 0.000 0.418 403 G N 1.982 110.801 108.800 0.032 0.000 2.432 403 G HA2 0.381 4.341 3.960 -0.000 0.000 0.239 403 G HA3 0.381 4.341 3.960 -0.000 0.000 0.239 403 G C -0.200 174.705 174.900 0.009 0.000 1.291 403 G CA -0.345 44.761 45.100 0.010 0.000 0.863 403 G HN 0.131 nan 8.290 nan 0.000 0.560 404 V N 2.176 122.091 119.914 0.003 0.000 2.775 404 V HA 0.257 4.377 4.120 -0.000 0.000 0.299 404 V C -0.043 176.051 176.094 -0.001 0.000 1.062 404 V CA -0.146 62.156 62.300 0.002 0.000 1.063 404 V CB 1.468 33.291 31.823 0.000 0.000 0.994 404 V HN 0.776 nan 8.190 nan 0.000 0.483 405 Q N 3.703 123.503 119.800 -0.000 0.000 2.320 405 Q HA 0.484 4.824 4.340 -0.000 0.000 0.268 405 Q C -2.523 173.475 176.000 -0.002 0.000 1.023 405 Q CA -1.467 54.334 55.803 -0.002 0.000 0.744 405 Q CB 1.103 29.841 28.738 -0.001 0.000 1.246 405 Q HN 0.529 nan 8.270 nan 0.000 0.462 406 P HA -0.020 nan 4.420 nan 0.000 0.264 406 P C -2.201 175.098 177.300 -0.003 0.000 1.173 406 P CA -0.603 62.495 63.100 -0.004 0.000 0.761 406 P CB 0.119 31.816 31.700 -0.005 0.000 0.794 407 P HA 0.095 nan 4.420 nan 0.000 0.225 407 P C 0.018 177.316 177.300 -0.003 0.000 1.768 407 P CA 0.210 63.308 63.100 -0.003 0.000 0.943 407 P CB -0.342 31.357 31.700 -0.003 0.000 1.936 408 T N -1.398 113.154 114.554 -0.004 0.000 3.252 408 T HA -0.032 4.318 4.350 -0.000 0.000 0.250 408 T C 1.461 176.159 174.700 -0.004 0.000 1.123 408 T CA 0.574 62.672 62.100 -0.004 0.000 1.006 408 T CB -0.256 68.610 68.868 -0.004 0.000 0.992 408 T HN 0.295 nan 8.240 nan 0.000 0.547 409 S N 0.083 115.781 115.700 -0.004 0.000 2.631 409 S HA 0.103 4.573 4.470 -0.000 0.000 0.217 409 S C 1.300 175.896 174.600 -0.006 0.000 0.958 409 S CA -0.430 57.767 58.200 -0.005 0.000 0.920 409 S CB -0.085 63.113 63.200 -0.004 0.000 0.776 409 S HN 0.187 nan 8.310 nan 0.000 0.517 410 S N 1.446 117.143 115.700 -0.006 0.000 2.573 410 S HA 0.448 4.918 4.470 -0.000 0.000 0.244 410 S C -0.004 174.592 174.600 -0.007 0.000 0.984 410 S CA -0.493 57.703 58.200 -0.006 0.000 1.001 410 S CB -0.310 62.887 63.200 -0.005 0.000 0.788 410 S HN 0.526 nan 8.310 nan 0.000 0.456 411 I N 1.778 122.344 120.570 -0.006 0.000 2.436 411 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 411 I C -0.703 175.409 176.117 -0.008 0.000 1.010 411 I CA -0.724 60.572 61.300 -0.006 0.000 1.098 411 I CB 1.875 39.873 38.000 -0.004 0.000 1.266 411 I HN -0.032 nan 8.210 nan 0.000 0.434 412 L N 6.833 128.050 121.223 -0.011 0.000 2.295 412 L HA 0.241 4.581 4.340 -0.000 0.000 0.288 412 L C 0.641 177.502 176.870 -0.014 0.000 1.079 412 L CA -0.485 54.345 54.840 -0.016 0.000 0.830 412 L CB 0.151 42.198 42.059 -0.021 0.000 1.200 412 L HN 0.617 nan 8.230 nan 0.000 0.438 413 E N 2.489 122.682 120.200 -0.012 0.000 2.330 413 E HA 0.322 4.672 4.350 -0.000 0.000 0.256 413 E C -1.135 175.452 176.600 -0.022 0.000 1.146 413 E CA -0.752 55.646 56.400 -0.004 0.000 0.945 413 E CB 1.148 30.852 29.700 0.008 0.000 1.182 413 E HN 0.277 nan 8.360 nan 0.000 0.480 414 D N 0.759 121.154 120.400 -0.009 0.000 2.481 414 D HA 0.286 4.926 4.640 -0.000 0.000 0.246 414 D C -0.617 175.637 176.300 -0.076 0.000 1.109 414 D CA -0.414 53.533 54.000 -0.088 0.000 0.845 414 D CB 1.419 42.142 40.800 -0.129 0.000 1.160 414 D HN 0.410 nan 8.370 nan 0.000 0.534 415 T N -0.213 114.260 114.554 -0.136 0.000 2.874 415 T HA 0.576 4.926 4.350 -0.000 0.000 0.281 415 T C -0.337 174.232 174.700 -0.218 0.000 0.994 415 T CA -0.405 61.662 62.100 -0.055 0.000 1.015 415 T CB 0.858 69.692 68.868 -0.056 0.000 1.028 415 T HN 0.200 nan 8.240 nan 0.000 0.523 416 Y N -1.051 119.219 120.300 -0.050 0.000 2.581 416 Y HA 0.542 5.092 4.550 -0.000 0.000 0.345 416 Y C 0.385 176.212 175.900 -0.122 0.000 1.036 416 Y CA -1.319 56.747 58.100 -0.057 0.000 1.042 416 Y CB 2.010 40.454 38.460 -0.028 0.000 1.289 416 Y HN 0.402 nan 8.280 nan 0.000 0.471 417 R N 1.334 121.839 120.500 0.008 0.000 2.393 417 R HA 0.334 4.674 4.340 -0.000 0.000 0.310 417 R C -1.405 174.686 176.300 -0.348 0.000 0.968 417 R CA -0.976 54.899 56.100 -0.375 0.000 0.867 417 R CB 0.837 30.800 30.300 -0.562 0.000 1.124 417 R HN 0.879 nan 8.270 nan 0.000 0.450 418 Y N 1.046 121.382 120.300 0.060 0.000 3.057 418 Y HA -0.216 4.334 4.550 -0.000 0.000 0.192 418 Y C 1.051 176.968 175.900 0.028 0.000 1.448 418 Y CA -0.055 58.067 58.100 0.036 0.000 1.065 418 Y CB -2.114 36.364 38.460 0.029 0.000 1.369 418 Y HN 0.657 nan 8.280 nan 0.000 0.460 419 I N -0.920 119.691 120.570 0.069 0.000 3.164 419 I HA -0.199 3.971 4.170 -0.000 0.000 0.278 419 I C 1.698 177.813 176.117 -0.003 0.000 1.320 419 I CA 0.840 62.141 61.300 0.003 0.000 1.422 419 I CB -0.192 37.797 38.000 -0.018 0.000 1.066 419 I HN 0.365 nan 8.210 nan 0.000 0.503 420 E N 0.789 121.022 120.200 0.056 0.000 2.112 420 E HA -0.007 4.343 4.350 -0.000 0.000 0.190 420 E C 1.261 177.880 176.600 0.032 0.000 0.979 420 E CA 0.354 56.779 56.400 0.040 0.000 0.814 420 E CB -0.355 29.383 29.700 0.062 0.000 0.762 420 E HN 0.348 nan 8.360 nan 0.000 0.460 421 S N 2.014 117.752 115.700 0.063 0.000 2.558 421 S HA -0.001 4.469 4.470 -0.000 0.000 0.293 421 S C -1.663 172.940 174.600 0.005 0.000 1.292 421 S CA -1.145 57.076 58.200 0.035 0.000 1.063 421 S CB 0.823 64.059 63.200 0.059 0.000 0.831 421 S HN -0.207 nan 8.310 nan 0.000 0.499 422 P HA -0.028 nan 4.420 nan 0.000 0.216 422 P C 1.308 178.597 177.300 -0.018 0.000 1.153 422 P CA 1.543 64.635 63.100 -0.014 0.000 0.848 422 P CB -0.069 31.625 31.700 -0.011 0.000 0.787 423 A N -1.135 121.682 122.820 -0.006 0.000 1.933 423 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 423 A C 1.376 178.954 177.584 -0.010 0.000 1.175 423 A CA 1.462 53.499 52.037 -0.000 0.000 0.628 423 A CB -1.724 17.285 19.000 0.015 0.000 0.814 423 A HN 0.172 nan 8.150 nan 0.000 0.444 424 T N 0.354 114.899 114.554 -0.015 0.000 2.802 424 T HA 0.269 4.619 4.350 -0.000 0.000 0.305 424 T C 0.347 174.937 174.700 -0.182 0.000 1.053 424 T CA -0.352 61.702 62.100 -0.076 0.000 1.058 424 T CB 0.530 69.380 68.868 -0.030 0.000 0.988 424 T HN 0.454 nan 8.240 nan 0.000 0.539 425 K N 0.216 120.372 120.400 -0.407 0.000 2.469 425 K HA 0.025 4.345 4.320 -0.000 0.000 0.274 425 K C 1.121 177.581 176.600 -0.233 0.000 0.983 425 K CA -0.396 55.675 56.287 -0.359 0.000 0.974 425 K CB 0.081 32.236 32.500 -0.574 0.000 0.913 425 K HN 0.659 nan 8.250 nan 0.000 0.493 426 C N 2.962 122.177 119.300 -0.143 0.000 2.425 426 C HA -0.031 4.429 4.460 -0.000 0.000 0.277 426 C C 1.049 175.989 174.990 -0.083 0.000 1.280 426 C CA 1.165 60.129 59.018 -0.090 0.000 1.744 426 C CB -1.352 26.352 27.740 -0.060 0.000 1.989 426 C HN 0.993 nan 8.230 nan 0.000 0.491 427 A N 0.302 123.067 122.820 -0.092 0.000 2.869 427 A HA -0.230 4.090 4.320 -0.000 0.000 0.280 427 A C 1.591 179.152 177.584 -0.038 0.000 1.458 427 A CA 1.103 53.103 52.037 -0.062 0.000 0.776 427 A CB -2.012 16.952 19.000 -0.061 0.000 1.028 427 A HN 1.100 nan 8.150 nan 0.000 0.547 428 S N 0.527 116.206 115.700 -0.035 0.000 2.382 428 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 428 S C 0.845 175.434 174.600 -0.018 0.000 1.027 428 S CA 0.759 58.944 58.200 -0.025 0.000 0.991 428 S CB -0.699 62.487 63.200 -0.024 0.000 0.823 428 S HN 1.729 nan 8.310 nan 0.000 0.469 429 N N 2.936 121.626 118.700 -0.017 0.000 2.454 429 N HA 0.220 4.960 4.740 -0.000 0.000 0.254 429 N C -0.352 175.151 175.510 -0.011 0.000 1.228 429 N CA -0.045 52.998 53.050 -0.013 0.000 0.900 429 N CB 0.565 39.046 38.487 -0.010 0.000 1.089 429 N HN 0.449 nan 8.380 nan 0.000 0.449 430 V N -0.617 119.291 119.914 -0.010 0.000 2.448 430 V HA 0.524 4.644 4.120 -0.000 0.000 0.295 430 V C 0.387 176.475 176.094 -0.010 0.000 1.025 430 V CA -1.194 61.100 62.300 -0.010 0.000 0.859 430 V CB 0.623 32.440 31.823 -0.010 0.000 0.988 430 V HN 0.589 nan 8.190 nan 0.000 0.431 431 I N 5.296 125.861 120.570 -0.008 0.000 2.692 431 I HA 0.323 4.493 4.170 -0.000 0.000 0.284 431 I C -1.976 174.135 176.117 -0.011 0.000 1.159 431 I CA -0.850 60.444 61.300 -0.009 0.000 1.423 431 I CB 0.797 38.793 38.000 -0.007 0.000 1.380 431 I HN 0.538 nan 8.210 nan 0.000 0.580 432 P HA 0.383 nan 4.420 nan 0.000 0.306 432 P C -0.945 176.345 177.300 -0.018 0.000 1.385 432 P CA -0.468 62.622 63.100 -0.017 0.000 0.915 432 P CB 1.663 33.351 31.700 -0.019 0.000 1.013 433 A N 3.123 125.932 122.820 -0.019 0.000 2.511 433 A HA 0.145 4.465 4.320 -0.000 0.000 0.242 433 A C 0.504 178.073 177.584 -0.024 0.000 1.069 433 A CA -0.086 51.939 52.037 -0.019 0.000 0.763 433 A CB -0.035 18.953 19.000 -0.018 0.000 1.001 433 A HN 0.540 nan 8.150 nan 0.000 0.498 434 K N 1.584 121.971 120.400 -0.023 0.000 2.350 434 K HA 0.144 4.464 4.320 -0.000 0.000 0.279 434 K C 0.238 176.817 176.600 -0.035 0.000 1.027 434 K CA -0.125 56.144 56.287 -0.029 0.000 0.969 434 K CB 0.432 32.917 32.500 -0.025 0.000 0.954 434 K HN 0.784 nan 8.250 nan 0.000 0.474 435 E N 2.264 122.435 120.200 -0.047 0.000 2.392 435 E HA 0.003 4.353 4.350 -0.000 0.000 0.256 435 E C -0.887 175.680 176.600 -0.056 0.000 1.145 435 E CA -0.172 56.191 56.400 -0.060 0.000 0.929 435 E CB 0.839 30.490 29.700 -0.082 0.000 0.998 435 E HN 0.526 nan 8.360 nan 0.000 0.442 436 D N 1.416 121.782 120.400 -0.057 0.000 2.340 436 D HA 0.255 4.895 4.640 -0.000 0.000 0.251 436 D C -1.759 174.493 176.300 -0.080 0.000 1.080 436 D CA -1.911 52.069 54.000 -0.033 0.000 0.971 436 D CB 1.096 41.898 40.800 0.004 0.000 1.137 436 D HN 0.218 nan 8.370 nan 0.000 0.475 437 P HA -0.060 nan 4.420 nan 0.000 0.216 437 P C -0.367 176.637 177.300 -0.494 0.000 1.153 437 P CA 1.262 64.188 63.100 -0.291 0.000 0.848 437 P CB 0.067 31.613 31.700 -0.257 0.000 0.787 438 Y N -2.071 118.254 120.300 0.042 0.000 2.525 438 Y HA 0.575 5.125 4.550 -0.000 0.000 0.365 438 Y C 1.283 177.111 175.900 -0.120 0.000 0.929 438 Y CA -0.582 57.557 58.100 0.065 0.000 1.196 438 Y CB -0.303 38.349 38.460 0.320 0.000 1.232 438 Y HN -0.122 nan 8.280 nan 0.000 0.613 439 A N -0.167 122.570 122.820 -0.139 0.000 2.044 439 A HA 0.211 4.531 4.320 -0.000 0.000 0.213 439 A C 2.302 179.720 177.584 -0.277 0.000 1.169 439 A CA 1.055 52.989 52.037 -0.172 0.000 0.724 439 A CB -0.513 18.408 19.000 -0.132 0.000 0.840 439 A HN 0.668 nan 8.150 nan 0.000 0.463 440 G N 0.072 108.572 108.800 -0.501 0.000 2.402 440 G HA2 0.079 4.039 3.960 -0.000 0.000 0.216 440 G HA3 0.079 4.039 3.960 -0.000 0.000 0.216 440 G C 0.571 175.216 174.900 -0.425 0.000 1.162 440 G CA 0.400 45.172 45.100 -0.546 0.000 0.777 440 G HN 0.420 nan 8.290 nan 0.000 0.539 441 F N 0.880 120.823 119.950 -0.010 0.000 2.378 441 F HA 0.583 5.110 4.527 -0.000 0.000 0.325 441 F C 0.486 176.169 175.800 -0.195 0.000 1.097 441 F CA -1.139 56.859 58.000 -0.004 0.000 1.079 441 F CB 1.215 40.300 39.000 0.143 0.000 1.240 441 F HN -0.093 nan 8.300 nan 0.000 0.519 442 K N 1.388 121.772 120.400 -0.026 0.000 2.469 442 K HA 0.717 5.037 4.320 -0.000 0.000 0.254 442 K C -1.641 174.829 176.600 -0.216 0.000 0.939 442 K CA -0.681 55.420 56.287 -0.310 0.000 0.812 442 K CB 2.204 34.626 32.500 -0.129 0.000 1.301 442 K HN 0.720 nan 8.250 nan 0.000 0.433 443 F N -2.265 117.752 119.950 0.111 0.000 2.779 443 F HA 0.488 5.015 4.527 -0.000 0.000 0.316 443 F C -0.710 175.190 175.800 0.167 0.000 1.164 443 F CA -1.508 56.559 58.000 0.112 0.000 0.924 443 F CB 0.361 39.420 39.000 0.099 0.000 1.348 443 F HN 0.463 nan 8.300 nan 0.000 0.467 444 W N 3.011 124.473 121.300 0.271 0.000 2.343 444 W HA 0.147 4.807 4.660 -0.000 0.000 0.337 444 W C -0.856 175.798 176.519 0.225 0.000 1.320 444 W CA 0.041 57.518 57.345 0.219 0.000 1.290 444 W CB 0.472 30.114 29.460 0.303 0.000 1.206 444 W HN 0.722 nan 8.180 nan 0.000 0.565 445 N N 5.949 125.041 118.700 0.654 0.000 2.476 445 N HA 0.340 5.080 4.740 -0.000 0.000 0.257 445 N C -0.945 174.757 175.510 0.321 0.000 0.970 445 N CA -0.471 52.795 53.050 0.360 0.000 0.938 445 N CB 0.583 39.181 38.487 0.185 0.000 1.144 445 N HN 0.213 nan 8.380 nan 0.000 0.500 446 I N 1.973 122.624 120.570 0.134 0.000 2.328 446 I HA 0.163 4.333 4.170 -0.000 0.000 0.287 446 I C -0.300 175.802 176.117 -0.026 0.000 1.012 446 I CA -0.693 60.605 61.300 -0.003 0.000 1.195 446 I CB 1.196 39.067 38.000 -0.214 0.000 1.350 446 I HN 0.421 nan 8.210 nan 0.000 0.464 447 D N 7.192 127.595 120.400 0.004 0.000 2.225 447 D HA 0.272 4.912 4.640 -0.000 0.000 0.248 447 D C 0.127 176.411 176.300 -0.026 0.000 1.096 447 D CA -0.073 53.925 54.000 -0.004 0.000 0.863 447 D CB 1.770 42.585 40.800 0.025 0.000 1.156 447 D HN 0.495 nan 8.370 nan 0.000 0.450 448 L N 3.695 124.890 121.223 -0.047 0.000 3.069 448 L HA 0.161 4.501 4.340 -0.000 0.000 0.271 448 L C 1.999 178.860 176.870 -0.016 0.000 1.201 448 L CA -0.198 54.607 54.840 -0.058 0.000 1.015 448 L CB 0.391 42.364 42.059 -0.143 0.000 1.371 448 L HN 0.251 nan 8.230 nan 0.000 0.574 449 K N 0.585 120.997 120.400 0.020 0.000 2.281 449 K HA -0.173 4.147 4.320 -0.000 0.000 0.203 449 K C 1.132 177.775 176.600 0.073 0.000 1.046 449 K CA 1.392 57.718 56.287 0.064 0.000 0.938 449 K CB 0.191 32.731 32.500 0.067 0.000 0.737 449 K HN 0.472 nan 8.250 nan 0.000 0.458 450 E N -0.369 119.864 120.200 0.055 0.000 2.391 450 E HA 0.040 4.390 4.350 -0.000 0.000 0.206 450 E C 0.102 176.747 176.600 0.075 0.000 0.851 450 E CA -0.018 56.421 56.400 0.065 0.000 1.059 450 E CB 0.478 30.210 29.700 0.053 0.000 1.065 450 E HN 0.033 nan 8.360 nan 0.000 0.512 451 K N 1.721 122.155 120.400 0.057 0.000 2.737 451 K HA 0.183 4.503 4.320 -0.000 0.000 0.251 451 K C -0.811 175.812 176.600 0.038 0.000 1.280 451 K CA -0.040 56.287 56.287 0.066 0.000 1.219 451 K CB 0.007 32.538 32.500 0.052 0.000 1.587 451 K HN -0.073 nan 8.250 nan 0.000 0.279 452 L N -0.874 120.391 121.223 0.071 0.000 2.409 452 L HA 0.497 4.837 4.340 -0.000 0.000 0.262 452 L C -0.849 176.122 176.870 0.169 0.000 0.992 452 L CA -0.280 54.595 54.840 0.059 0.000 0.817 452 L CB 2.235 44.322 42.059 0.047 0.000 1.350 452 L HN 0.125 nan 8.230 nan 0.000 0.411 453 S N 2.258 118.064 115.700 0.178 0.000 2.794 453 S HA 0.637 5.107 4.470 -0.000 0.000 0.299 453 S C -0.658 174.045 174.600 0.172 0.000 1.179 453 S CA -0.183 58.165 58.200 0.246 0.000 0.838 453 S CB 1.275 64.663 63.200 0.313 0.000 1.206 453 S HN 0.789 nan 8.310 nan 0.000 0.523 454 L N 1.085 122.341 121.223 0.054 0.000 3.086 454 L HA 0.610 4.950 4.340 -0.000 0.000 0.274 454 L C -1.050 175.766 176.870 -0.090 0.000 1.184 454 L CA 0.326 55.023 54.840 -0.239 0.000 1.002 454 L CB 0.632 42.566 42.059 -0.209 0.000 1.383 454 L HN 0.464 nan 8.230 nan 0.000 0.582 455 D N 0.965 121.412 120.400 0.077 0.000 2.479 455 D HA 0.246 4.886 4.640 -0.000 0.000 0.218 455 D C 1.460 177.841 176.300 0.136 0.000 1.131 455 D CA 0.044 54.092 54.000 0.080 0.000 0.916 455 D CB 1.039 41.886 40.800 0.077 0.000 1.022 455 D HN 0.169 nan 8.370 nan 0.000 0.515 456 L N 0.913 122.158 121.223 0.037 0.000 2.042 456 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 456 L C 1.977 178.891 176.870 0.073 0.000 1.076 456 L CA 1.170 56.033 54.840 0.038 0.000 0.749 456 L CB -0.128 41.873 42.059 -0.097 0.000 0.893 456 L HN 0.281 nan 8.230 nan 0.000 0.432 457 D N -0.531 119.883 120.400 0.024 0.000 2.133 457 D HA -0.227 4.413 4.640 -0.000 0.000 0.195 457 D C 2.203 178.480 176.300 -0.039 0.000 0.997 457 D CA 1.226 55.226 54.000 0.001 0.000 0.840 457 D CB 0.097 40.886 40.800 -0.019 0.000 0.947 457 D HN 0.148 nan 8.370 nan 0.000 0.452 458 Q N -0.480 119.258 119.800 -0.104 0.000 2.062 458 Q HA -0.130 4.210 4.340 -0.000 0.000 0.209 458 Q C 0.740 176.459 176.000 -0.468 0.000 0.996 458 Q CA 0.942 56.537 55.803 -0.347 0.000 0.859 458 Q CB -0.735 27.631 28.738 -0.620 0.000 0.920 458 Q HN 0.370 nan 8.270 nan 0.000 0.415 459 F N 0.790 120.597 119.950 -0.239 0.000 2.375 459 F HA 0.097 4.624 4.527 -0.000 0.000 0.313 459 F C -0.891 174.800 175.800 -0.181 0.000 1.176 459 F CA -1.949 55.854 58.000 -0.328 0.000 1.142 459 F CB -0.612 37.835 39.000 -0.921 0.000 1.275 459 F HN -0.044 nan 8.300 nan 0.000 0.544 460 P HA -0.184 nan 4.420 nan 0.000 0.214 460 P C 1.700 179.086 177.300 0.142 0.000 1.162 460 P CA 1.329 64.484 63.100 0.090 0.000 0.879 460 P CB 0.174 31.929 31.700 0.091 0.000 0.786 461 L N -0.071 121.281 121.223 0.216 0.000 2.549 461 L HA 0.121 4.461 4.340 -0.000 0.000 0.229 461 L C 2.174 179.258 176.870 0.358 0.000 1.158 461 L CA 1.369 56.381 54.840 0.286 0.000 0.842 461 L CB -1.466 40.785 42.059 0.319 0.000 0.952 461 L HN -0.067 nan 8.230 nan 0.000 0.452 462 G N -0.790 108.164 108.800 0.257 0.000 2.425 462 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.213 462 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.213 462 G C 1.708 176.745 174.900 0.229 0.000 1.201 462 G CA 0.382 45.616 45.100 0.223 0.000 0.799 462 G HN 0.324 nan 8.290 nan 0.000 0.534 463 R N -0.295 120.296 120.500 0.152 0.000 2.096 463 R HA -0.025 4.315 4.340 -0.000 0.000 0.240 463 R C 2.700 179.096 176.300 0.160 0.000 1.139 463 R CA 1.020 57.191 56.100 0.118 0.000 0.952 463 R CB -0.245 30.097 30.300 0.070 0.000 0.854 463 R HN 0.049 nan 8.270 nan 0.000 0.436 464 R N 0.008 120.632 120.500 0.207 0.000 2.170 464 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 464 R C 1.865 178.374 176.300 0.348 0.000 1.145 464 R CA 1.354 57.608 56.100 0.257 0.000 0.984 464 R CB -0.472 29.994 30.300 0.277 0.000 0.869 464 R HN 0.267 nan 8.270 nan 0.000 0.455 465 F N 0.453 120.519 119.950 0.193 0.000 2.104 465 F HA -0.043 4.484 4.527 -0.000 0.000 0.288 465 F C 2.130 177.828 175.800 -0.171 0.000 1.107 465 F CA 0.909 58.889 58.000 -0.033 0.000 1.208 465 F CB -0.407 38.614 39.000 0.034 0.000 1.033 465 F HN -0.157 nan 8.300 nan 0.000 0.478 466 L N 0.616 122.026 121.223 0.312 0.000 2.129 466 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 466 L C 2.764 179.607 176.870 -0.045 0.000 1.087 466 L CA 1.089 56.001 54.840 0.120 0.000 0.757 466 L CB -1.441 40.682 42.059 0.108 0.000 0.896 466 L HN 0.360 nan 8.230 nan 0.000 0.434 467 A N -0.073 122.735 122.820 -0.020 0.000 1.859 467 A HA -0.341 3.979 4.320 -0.000 0.000 0.217 467 A C 2.293 179.809 177.584 -0.114 0.000 1.198 467 A CA 2.235 54.249 52.037 -0.039 0.000 0.629 467 A CB -0.778 18.227 19.000 0.008 0.000 0.830 467 A HN 0.502 nan 8.150 nan 0.000 0.446 468 Q N -1.397 118.284 119.800 -0.197 0.000 2.135 468 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 468 Q C 2.208 178.018 176.000 -0.317 0.000 0.981 468 Q CA 1.623 57.258 55.803 -0.280 0.000 0.856 468 Q CB -0.125 28.335 28.738 -0.464 0.000 0.902 468 Q HN 0.657 nan 8.270 nan 0.000 0.425 469 Q N -1.189 118.379 119.800 -0.387 0.000 2.084 469 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 469 Q C 1.564 177.463 176.000 -0.169 0.000 0.978 469 Q CA 1.669 57.286 55.803 -0.309 0.000 0.844 469 Q CB 0.045 28.612 28.738 -0.286 0.000 0.898 469 Q HN 0.650 nan 8.270 nan 0.000 0.426 470 G N -0.723 108.002 108.800 -0.125 0.000 2.316 470 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.203 470 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.203 470 G C 0.327 175.191 174.900 -0.060 0.000 0.999 470 G CA -0.018 45.032 45.100 -0.084 0.000 0.649 470 G HN 0.541 nan 8.290 nan 0.000 0.489 471 A N 1.141 123.926 122.820 -0.059 0.000 3.056 471 A HA 0.699 5.019 4.320 -0.000 0.000 0.274 471 A C 0.769 178.338 177.584 -0.025 0.000 1.661 471 A CA 0.914 52.928 52.037 -0.037 0.000 1.363 471 A CB -0.485 18.494 19.000 -0.035 0.000 1.139 471 A HN 1.669 nan 8.150 nan 0.000 0.598 472 G N -0.886 107.899 108.800 -0.025 0.000 2.530 472 G HA2 0.409 4.369 3.960 -0.000 0.000 0.316 472 G HA3 0.409 4.369 3.960 -0.000 0.000 0.316 472 G C 0.258 175.151 174.900 -0.012 0.000 1.298 472 G CA -0.265 44.826 45.100 -0.015 0.000 0.948 472 G HN 0.436 nan 8.290 nan 0.000 0.486 473 C N 0.945 120.242 119.300 -0.006 0.000 2.634 473 C HA 0.501 4.961 4.460 -0.000 0.000 0.268 473 C C 1.426 176.413 174.990 -0.006 0.000 1.322 473 C CA 0.424 59.437 59.018 -0.008 0.000 1.737 473 C CB -0.449 27.285 27.740 -0.009 0.000 1.976 473 C HN 0.642 nan 8.230 nan 0.000 0.547 474 S N 0.380 116.080 115.700 -0.001 0.000 2.775 474 S HA 0.391 4.861 4.470 -0.000 0.000 0.277 474 S C -0.595 174.008 174.600 0.004 0.000 1.156 474 S CA -0.172 58.030 58.200 0.003 0.000 1.081 474 S CB 0.719 63.924 63.200 0.009 0.000 1.054 474 S HN 0.358 nan 8.310 nan 0.000 0.482 475 T N 3.681 118.234 114.554 -0.002 0.000 2.845 475 T HA 0.297 4.647 4.350 -0.000 0.000 0.288 475 T C 0.269 174.971 174.700 0.002 0.000 0.980 475 T CA -0.426 61.671 62.100 -0.005 0.000 1.071 475 T CB 1.259 70.119 68.868 -0.014 0.000 0.941 475 T HN 0.484 nan 8.240 nan 0.000 0.487 476 V N 5.814 125.732 119.914 0.008 0.000 2.157 476 V HA 0.256 4.376 4.120 -0.000 0.000 0.241 476 V C 0.476 176.574 176.094 0.006 0.000 1.349 476 V CA 0.235 62.544 62.300 0.015 0.000 1.319 476 V CB -1.305 30.536 31.823 0.030 0.000 1.421 476 V HN 0.556 nan 8.190 nan 0.000 0.501 477 R N 3.839 124.341 120.500 0.002 0.000 2.518 477 R HA 0.345 4.685 4.340 -0.000 0.000 0.287 477 R C -0.437 175.862 176.300 -0.001 0.000 1.135 477 R CA -0.498 55.601 56.100 -0.001 0.000 0.967 477 R CB 2.070 32.367 30.300 -0.006 0.000 1.212 477 R HN 0.718 nan 8.270 nan 0.000 0.422 478 K N 2.170 122.570 120.400 -0.001 0.000 2.842 478 K HA 0.415 4.735 4.320 -0.000 0.000 0.176 478 K C -0.397 176.201 176.600 -0.002 0.000 1.080 478 K CA -0.684 55.602 56.287 -0.001 0.000 0.954 478 K CB 1.162 33.662 32.500 -0.000 0.000 1.203 478 K HN 0.249 nan 8.250 nan 0.000 0.611 479 R N 2.364 122.862 120.500 -0.004 0.000 2.538 479 R HA 0.031 4.371 4.340 -0.000 0.000 0.282 479 R C -0.100 176.198 176.300 -0.004 0.000 1.009 479 R CA 0.211 56.309 56.100 -0.004 0.000 1.063 479 R CB 0.327 30.623 30.300 -0.006 0.000 0.945 479 R HN 0.630 nan 8.270 nan 0.000 0.414 480 R N 2.669 123.167 120.500 -0.003 0.000 2.480 480 R HA 0.446 4.786 4.340 -0.000 0.000 0.306 480 R C -0.764 175.535 176.300 -0.003 0.000 0.958 480 R CA -0.784 55.315 56.100 -0.003 0.000 0.861 480 R CB 1.166 31.465 30.300 -0.002 0.000 1.171 480 R HN 0.306 nan 8.270 nan 0.000 0.445 481 I N 1.594 122.162 120.570 -0.003 0.000 2.562 481 I HA 0.520 4.690 4.170 -0.000 0.000 0.301 481 I C 0.075 176.190 176.117 -0.003 0.000 1.003 481 I CA -0.489 60.809 61.300 -0.003 0.000 1.127 481 I CB 1.746 39.743 38.000 -0.004 0.000 1.304 481 I HN 0.878 nan 8.210 nan 0.000 0.446 482 S N 0.000 115.698 115.700 -0.003 0.000 2.498 482 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 482 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 482 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 482 S HN 0.000 nan 8.310 nan 0.000 0.517